2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one

C20H17NO — CID 15090544

IUPAC2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one
SMILESCN(c1ccccc1)c1ccccc(-c2ccccc2)c1=O
InChIInChI=1S/C20H17NO/c1-21(17-12-6-3-7-13-17)19-15-9-8-14-18(20(19)22)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyKLXPUYYPYMZWLF-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.48
Rot. Bonds3

About 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one

2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one (PubChem CID 15090544) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one
PubChem CID15090544
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one
SMILESCN(c1ccccc1)c1ccccc(-c2ccccc2)c1=O
InChIInChI=1S/C20H17NO/c1-21(17-12-6-3-7-13-17)19-15-9-8-14-18(20(19)22)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyKLXPUYYPYMZWLF-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54080390
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
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1,4-bis(N-methylanilino)anthracene-9,10-dione
CID 101406322
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one (CID 15090544) is 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one is CN(c1ccccc1)c1ccccc(-c2ccccc2)c1=O.
What is the InChIKey of 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one?
The InChIKey is KLXPUYYPYMZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-21(17-12-6-3-7-13-17)19-15-9-8-14-18(20(19)22)16-10-4-2-5-11-16/h2-15H,1H3.
What are the key properties of 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one?
2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one has a molecular weight of 287.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-7-phenylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15090544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).