2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid

C18H15Cl2NO4 — CID 142192638

IUPAC2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid
SMILESCC(=O)c1cccc(CN(CC(=O)O)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO4/c1-11(22)13-4-2-3-12(7-13)9-21(10-17(23)24)18(25)15-6-5-14(19)8-16(15)20/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyKAQYCBJITOKSQX-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.92
Rot. Bonds6

About 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid

2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid (PubChem CID 142192638) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid
PubChem CID142192638
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Name2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid
SMILESCC(=O)c1cccc(CN(CC(=O)O)C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO4/c1-11(22)13-4-2-3-12(7-13)9-21(10-17(23)24)18(25)15-6-5-14(19)8-16(15)20/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyKAQYCBJITOKSQX-UHFFFAOYSA-N
XLogP3.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-carboxy-2-phenylethyl)-(2,4-dichlorobenzoyl)amino]methyl]benzoic acid
CID 22490115
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid (CID 142192638) is 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid is CC(=O)c1cccc(CN(CC(=O)O)C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid?
The InChIKey is KAQYCBJITOKSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-11(22)13-4-2-3-12(7-13)9-21(10-17(23)24)18(25)15-6-5-14(19)8-16(15)20/h2-8H,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid?
2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid has a molecular weight of 380.23 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)methyl-(2,4-dichlorobenzoyl)amino]acetic acid is sourced from PubChem (CID 142192638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).