N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide

C18H16ClNO — CID 155818871

IUPACN-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccccc2)CC=CC1
InChIInChI=1S/C18H16ClNO/c19-15-8-10-16(11-9-15)20-17(21)18(12-4-5-13-18)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21)
InChIKeySWXBUQSDZBXRCJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.57
Rot. Bonds3

About N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide

N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide (PubChem CID 155818871) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
PubChem CID155818871
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC NameN-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccccc2)CC=CC1
InChIInChI=1S/C18H16ClNO/c19-15-8-10-16(11-9-15)20-17(21)18(12-4-5-13-18)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21)
InChIKeySWXBUQSDZBXRCJ-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide (CID 155818871) is N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(c2ccccc2)CC=CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide?
The InChIKey is SWXBUQSDZBXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-15-8-10-16(11-9-15)20-17(21)18(12-4-5-13-18)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide?
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 155818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).