5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid

C12H13ClFNO3 — CID 81362822

IUPAC5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H13ClFNO3/c13-11-8(4-3-5-9(11)14)12(18)15-7-2-1-6-10(16)17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,17)
InChIKeyALHVITVBHPQSKS-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.46
Rot. Bonds6

About 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid

5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid (PubChem CID 81362822) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
PubChem CID81362822
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H13ClFNO3/c13-11-8(4-3-5-9(11)14)12(18)15-7-2-1-6-10(16)17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,17)
InChIKeyALHVITVBHPQSKS-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
4-[(2-chloro-3-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 81453598

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid (CID 81362822) is 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid?
The InChIKey is ALHVITVBHPQSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c13-11-8(4-3-5-9(11)14)12(18)15-7-2-1-6-10(16)17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid?
5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid has a molecular weight of 273.69 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid is sourced from PubChem (CID 81362822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).