2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid

C17H16Cl2N2O3 — CID 23645822

IUPAC2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-11(16(22)23)21(10-12-5-2-3-8-15(12)19)17(24)20-14-7-4-6-13(18)9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyWRSSBTLLIWVGAI-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.50
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid

2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid (PubChem CID 23645822) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid
PubChem CID23645822
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-11(16(22)23)21(10-12-5-2-3-8-15(12)19)17(24)20-14-7-4-6-13(18)9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyWRSSBTLLIWVGAI-UHFFFAOYSA-N
XLogP4.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid (CID 23645822) is 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid?
The InChIKey is WRSSBTLLIWVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-11(16(22)23)21(10-12-5-2-3-8-15(12)19)17(24)20-14-7-4-6-13(18)9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid?
2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid has a molecular weight of 367.23 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoyl-[(2-chlorophenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 23645822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).