2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid

C19H19ClN2O4 — CID 134267951

IUPAC2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid
SMILESCCCN(C(=O)NCC(=O)O)C(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-2-11-22(19(26)21-12-17(23)24)18(25)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,24)
InChIKeyTZXZFYLEUDMNDB-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.65
Rot. Bonds6

About 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid

2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid (PubChem CID 134267951) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid
PubChem CID134267951
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid
SMILESCCCN(C(=O)NCC(=O)O)C(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-2-11-22(19(26)21-12-17(23)24)18(25)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,24)
InChIKeyTZXZFYLEUDMNDB-UHFFFAOYSA-N
XLogP3.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid;methylsulfanylmethylbenzene
CID 143161947
(2R)-3-benzylsulfanyl-2-[[[4-(4-chlorophenyl)benzoyl]-propylcarbamoyl]amino]propanoic acid
CID 24968268
N-butanoyl-N-propylbenzamide
CID 70941556
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
N-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
2-[[5-(2-chlorophenyl)-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 90834960
octyl 4-(2-chlorophenyl)benzoate
CID 13072337
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
acetic acid;1,2-dichloro-3-phenylbenzene;propanoic acid
CID 174506866
2-[4-(2-chlorophenyl)phenyl]-2-(ethylcarbamoylsulfanyl)acetic acid
CID 54353825
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid (CID 134267951) is 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid is CCCN(C(=O)NCC(=O)O)C(=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid?
The InChIKey is TZXZFYLEUDMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-2-11-22(19(26)21-12-17(23)24)18(25)14-9-7-13(8-10-14)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid?
2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid has a molecular weight of 374.82 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-chlorophenyl)benzoyl]-propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 134267951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).