1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13ClN2O5 — CID 43427424

IUPAC1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H13ClN2O5/c14-10-4-3-8(16(20)21)7-9(10)11(17)15-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,17)(H,18,19)
InChIKeyZYLPHGKHNIBDRP-UHFFFAOYSA-N
MW312.71 g/mol
LogP2.38
Rot. Bonds4

About 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43427424) has the molecular formula C13H13ClN2O5 and a molecular weight of 312.71 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43427424
Molecular FormulaC13H13ClN2O5
Molecular Weight312.71 g/mol
Exact Mass312.05
IUPAC Name1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H13ClN2O5/c14-10-4-3-8(16(20)21)7-9(10)11(17)15-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,17)(H,18,19)
InChIKeyZYLPHGKHNIBDRP-UHFFFAOYSA-N
XLogP2.38
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120539039
methyl 1-[(2-chloro-4-nitrobenzoyl)amino]cyclohexane-1-carboxylate
CID 25467190
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 119350557
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530534
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
3-[(2-fluoro-5-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889965
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
CID 161054765
CID 161054765
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43427424) is 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZYLPHGKHNIBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O5/c14-10-4-3-8(16(20)21)7-9(10)11(17)15-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,15,17)(H,18,19).
What are the key properties of 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 312.71 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43427424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).