2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid

C20H19ClN2O4 — CID 119224522

IUPAC2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-15-3-1-2-14(11-15)20(8-9-20)19(27)23-16-6-4-13(5-7-16)10-17(24)22-12-18(25)26/h1-7,11H,8-10,12H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyQOVXKBFAULDGEN-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.75
Rot. Bonds7

About 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224522) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224522
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-15-3-1-2-14(11-15)20(8-9-20)19(27)23-16-6-4-13(5-7-16)10-17(24)22-12-18(25)26/h1-7,11H,8-10,12H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyQOVXKBFAULDGEN-UHFFFAOYSA-N
XLogP2.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
CID 35694725
2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
CID 45435122
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224522) is 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is QOVXKBFAULDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-15-3-1-2-14(11-15)20(8-9-20)19(27)23-16-6-4-13(5-7-16)10-17(24)22-12-18(25)26/h1-7,11H,8-10,12H2,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 386.84 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).