3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one

C18H18N2O — CID 4647082

IUPAC3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one
SMILESNc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c19-17-8-4-5-9-18(17)20-15-10-14(11-16(21)12-15)13-6-2-1-3-7-13/h1-9,12,14,20H,10-11,19H2
InChIKeyFHBLFDXTCULSMB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.71
Rot. Bonds3

About 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one

3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 4647082) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID4647082
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one
SMILESNc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c19-17-8-4-5-9-18(17)20-15-10-14(11-16(21)12-15)13-6-2-1-3-7-13/h1-9,12,14,20H,10-11,19H2
InChIKeyFHBLFDXTCULSMB-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Q182 4-Anilino-1,2-naphthoquinone
CID 344131
N-(2-aminophenyl)benzamide
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CID 2885983
3-[(2-Aminophenyl)amino]-5-[4-(dimethylamino)phenyl]cyclohex-2-en-1-one
CID 590400
2,2-Diphenylacetanilide
CID 252606
{4-[(2-Aminophenyl)amino]phenyl}(Phenyl)methanone
CID 11737779
2-Amino-Phenylamino-Dibenzosuberone
CID 11955788
N-(4-aminobiphenyl-3-yl)benzamide
CID 44454143
6-(3-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 2882012
3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 3160384
5-Phenyl-3-(phenylamino)cyclohex-2-EN-1-one
CID 2834825
N-(2-(Benzoylamino)phenyl)benzamide
CID 231860

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one (CID 4647082) is 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one is Nc1ccccc1NC1=CC(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is FHBLFDXTCULSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-17-8-4-5-9-18(17)20-15-10-14(11-16(21)12-15)13-6-2-1-3-7-13/h1-9,12,14,20H,10-11,19H2.
What are the key properties of 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one?
3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 4647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).