N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide

C18H23N3O4 — CID 4114738

IUPACN-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C2CCCC2)c1)C1CCCC1
InChIInChI=1S/C18H23N3O4/c22-17(12-5-1-2-6-12)19-14-9-10-16(21(24)25)15(11-14)20-18(23)13-7-3-4-8-13/h9-13H,1-8H2,(H,19,22)(H,20,23)
InChIKeyCTYRRCGRGAKPFS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide

N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide (PubChem CID 4114738) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
PubChem CID4114738
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C2CCCC2)c1)C1CCCC1
InChIInChI=1S/C18H23N3O4/c22-17(12-5-1-2-6-12)19-14-9-10-16(21(24)25)15(11-14)20-18(23)13-7-3-4-8-13/h9-13H,1-8H2,(H,19,22)(H,20,23)
InChIKeyCTYRRCGRGAKPFS-UHFFFAOYSA-N
XLogP3.85
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.85
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

N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55722368
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
(3R)-N-(3-bromo-4-nitrophenyl)oxane-3-carboxamide
CID 97338451
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide (CID 4114738) is N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide is O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C2CCCC2)c1)C1CCCC1.
What is the InChIKey of N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide?
The InChIKey is CTYRRCGRGAKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17(12-5-1-2-6-12)19-14-9-10-16(21(24)25)15(11-14)20-18(23)13-7-3-4-8-13/h9-13H,1-8H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide?
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide is sourced from PubChem (CID 4114738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).