4-[(2-chlorobenzoyl)amino]butanoate

C11H11ClNO3- — CID 7024884

IUPAC4-[(2-chlorobenzoyl)amino]butanoate
SMILESO=C([O-])CCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)/p-1
InChIKeyDIHHUKVWXKEHDJ-UHFFFAOYSA-M
MW240.67 g/mol
LogP0.60
Rot. Bonds5

About 4-[(2-chlorobenzoyl)amino]butanoate

4-[(2-chlorobenzoyl)amino]butanoate (PubChem CID 7024884) has the molecular formula C11H11ClNO3- and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]butanoate
PubChem CID7024884
Molecular FormulaC11H11ClNO3-
Molecular Weight240.67 g/mol
Exact Mass240.04
IUPAC Name4-[(2-chlorobenzoyl)amino]butanoate
SMILESO=C([O-])CCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)/p-1
InChIKeyDIHHUKVWXKEHDJ-UHFFFAOYSA-M
XLogP0.60
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
2-chloro-N-undecylbenzamide
CID 3373978
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 153096273
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]butanoate?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]butanoate (CID 7024884) is 4-[(2-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]butanoate?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]butanoate is O=C([O-])CCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]butanoate?
The InChIKey is DIHHUKVWXKEHDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12ClNO3/c12-9-5-2-1-4-8(9)11(16)13-7-3-6-10(14)15/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)/p-1.
What are the key properties of 4-[(2-chlorobenzoyl)amino]butanoate?
4-[(2-chlorobenzoyl)amino]butanoate has a molecular weight of 240.67 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 7024884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).