2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid

C19H17Cl2NO4 — CID 119246486

IUPAC2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c20-12-4-5-14(17(21)7-12)15-8-16(15)19(25)22-9-11-2-1-3-13(6-11)26-10-18(23)24/h1-7,15-16H,8-10H2,(H,22,25)(H,23,24)
InChIKeyHIZNPNROXZXHJA-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.88
Rot. Bonds7

About 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid (PubChem CID 119246486) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
PubChem CID119246486
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H17Cl2NO4/c20-12-4-5-14(17(21)7-12)15-8-16(15)19(25)22-9-11-2-1-3-13(6-11)26-10-18(23)24/h1-7,15-16H,8-10H2,(H,22,25)(H,23,24)
InChIKeyHIZNPNROXZXHJA-UHFFFAOYSA-N
XLogP3.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[3-[[[(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 125131749
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55712265
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-[3-[(spiro[2.2]pentane-2-carbonylamino)methyl]phenoxy]acetic acid
CID 122107946
2-[3-[[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 125150216
2-[3-[[[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 125150215
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55709586
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
2-[3-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527385

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid (CID 119246486) is 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)C2CC2c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is HIZNPNROXZXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c20-12-4-5-14(17(21)7-12)15-8-16(15)19(25)22-9-11-2-1-3-13(6-11)26-10-18(23)24/h1-7,15-16H,8-10H2,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 394.25 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).