2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid

C39H37Cl6N3O7 — CID 159931636

IUPAC2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1.O=C(O)Cc1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O4.C19H18Cl3NO3/c21-14-6-13(20(28)25-9-17(26)27)7-15(22)19(14)29-10-12-2-1-3-16(18(12)23)24-8-11-4-5-11;20-14-6-12(8-17(24)25)7-15(21)19(14)26-10-13-2-1-3-16(18(13)22)23-9-11-4-5-11/h1-3,6-7,11,24H,4-5,8-10H2,(H,25,28)(H,26,27);1-3,6-7,11,23H,4-5,8-10H2,(H,24,25)
InChIKeyNZSGKJGGSVCSGY-UHFFFAOYSA-N
MW872.46 g/mol
LogP10.54
Rot. Bonds17

About 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid

2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid (PubChem CID 159931636) has the molecular formula C39H37Cl6N3O7 and a molecular weight of 872.46 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid
PubChem CID159931636
Molecular FormulaC39H37Cl6N3O7
Molecular Weight872.46 g/mol
Exact Mass869.08
IUPAC Name2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1.O=C(O)Cc1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl3N2O4.C19H18Cl3NO3/c21-14-6-13(20(28)25-9-17(26)27)7-15(22)19(14)29-10-12-2-1-3-16(18(12)23)24-8-11-4-5-11;20-14-6-12(8-17(24)25)7-15(21)19(14)26-10-13-2-1-3-16(18(13)22)23-9-11-4-5-11/h1-3,6-7,11,24H,4-5,8-10H2,(H,25,28)(H,26,27);1-3,6-7,11,23H,4-5,8-10H2,(H,24,25)
InChIKeyNZSGKJGGSVCSGY-UHFFFAOYSA-N
XLogP10.54
TPSA146.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.46
LogP ≤ 510.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,5-dibromo-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246538
2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246276
2-[3,5-dichloro-4-[[5-chloro-3-(cyclopropylmethylamino)-2-fluorophenyl]methoxy]phenyl]acetic acid
CID 91485958
2-[3,5-dichloro-4-[[2-chloro-3-(propanoylamino)phenyl]methoxy]phenyl]acetic acid
CID 69317655
2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]phenyl]acetic acid
CID 87883377
2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 91091914
2-[[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]phenyl]acetic acid
CID 87883491
2-[[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]phenyl]acetic acid
CID 87884463
3-[3,5-dichloro-4-[[2-chloro-3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid
CID 69244023
2-[3,5-dichloro-4-[[3-(cyclopropylmethylamino)-5-methylphenyl]methoxy]phenyl]acetic acid
CID 90940339
2-[[3,5-dibromo-4-[[3-(cyclopropylmethylamino)-2-fluoro-5-methylphenyl]methoxy]benzoyl]amino]acetic acid
CID 69246838
2-[[3,5-dichloro-4-[[3-fluoro-5-(2-methylpropanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[3-fluoro-5-(2-methylpropanoylamino)phenyl]methoxy]phenyl]acetic acid
CID 87884365

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid (CID 159931636) is 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid is O=C(O)CNC(=O)c1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1.O=C(O)Cc1cc(Cl)c(OCc2cccc(NCC3CC3)c2Cl)c(Cl)c1.
What is the InChIKey of 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid?
The InChIKey is NZSGKJGGSVCSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O4.C19H18Cl3NO3/c21-14-6-13(20(28)25-9-17(26)27)7-15(22)19(14)29-10-12-2-1-3-16(18(12)23)24-8-11-4-5-11;20-14-6-12(8-17(24)25)7-15(21)19(14)26-10-13-2-1-3-16(18(13)22)23-9-11-4-5-11/h1-3,6-7,11,24H,4-5,8-10H2,(H,25,28)(H,26,27);1-3,6-7,11,23H,4-5,8-10H2,(H,24,25).
What are the key properties of 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid?
2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid has a molecular weight of 872.46 g/mol, XLogP of 10.54, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 159931636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).