N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide

C12H13ClN2O3 — CID 3328089

IUPACN-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-5-9(15(17)18)7-11(10)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyIQNRGVGGDIXUJP-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.38
Rot. Bonds3

About N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide

N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide (PubChem CID 3328089) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
PubChem CID3328089
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-5-9(15(17)18)7-11(10)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyIQNRGVGGDIXUJP-UHFFFAOYSA-N
XLogP3.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257412
(2R,5S)-5-[(2-chloro-5-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944727
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926130
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
3-(2-chloro-5-nitrophenyl)-1-cyclohexyl-1-methylthiourea
CID 7942200
(1R,6R)-6-[(2-chloro-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 897870

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide (CID 3328089) is N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide?
The InChIKey is IQNRGVGGDIXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-10-6-5-9(15(17)18)7-11(10)14-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16).
What are the key properties of N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide?
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide has a molecular weight of 268.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 3328089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).