N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide

C18H18N2O3 — CID 1108208

IUPACN-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-9-6-10-16(13-15)20(22)23)18(11-4-5-12-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,19,21)
InChIKeyCUYOQKLJDVXHHJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.05
Rot. Bonds4

About N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide

N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 1108208) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID1108208
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-9-6-10-16(13-15)20(22)23)18(11-4-5-12-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,19,21)
InChIKeyCUYOQKLJDVXHHJ-UHFFFAOYSA-N
XLogP4.05
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.05
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-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide (CID 1108208) is N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CUYOQKLJDVXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(19-15-9-6-10-16(13-15)20(22)23)18(11-4-5-12-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,19,21).
What are the key properties of N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide?
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 1108208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).