2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone

C22H19NO — CID 71080227

IUPAC2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone
SMILESC=c1cccc/c1=C/c1ccccc1NCC(=O)c1ccccc1
InChIInChI=1S/C22H19NO/c1-17-9-5-6-12-19(17)15-20-13-7-8-14-21(20)23-16-22(24)18-10-3-2-4-11-18/h2-15,23H,1,16H2/b19-15-
InChIKeyXBDKPVRHFOSHPS-CYVLTUHYSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds5

About 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone

2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone (PubChem CID 71080227) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone
PubChem CID71080227
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone
SMILESC=c1cccc/c1=C/c1ccccc1NCC(=O)c1ccccc1
InChIInChI=1S/C22H19NO/c1-17-9-5-6-12-19(17)15-20-13-7-8-14-21(20)23-16-22(24)18-10-3-2-4-11-18/h2-15,23H,1,16H2/b19-15-
InChIKeyXBDKPVRHFOSHPS-CYVLTUHYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone with MolForge

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Related Compounds

ethyl (E)-3-[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 174881127
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-hydroxy-6-methyl-3-(phenacylamino)benzoic acid
CID 66728197
2-(aminomethylamino)-1-phenylethanone
CID 59627873
2-[[(3E)-penta-1,3-dien-3-yl]amino]-1-phenylethanone
CID 143069328
3-(2-ethenylanilino)propanoic acid
CID 174297472

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone?
The IUPAC name of 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone (CID 71080227) is 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone.
What is the SMILES notation for 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone?
The canonical SMILES for 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone is C=c1cccc/c1=C/c1ccccc1NCC(=O)c1ccccc1.
What is the InChIKey of 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone?
The InChIKey is XBDKPVRHFOSHPS-CYVLTUHYSA-N. The full InChI is InChI=1S/C22H19NO/c1-17-9-5-6-12-19(17)15-20-13-7-8-14-21(20)23-16-22(24)18-10-3-2-4-11-18/h2-15,23H,1,16H2/b19-15-.
What are the key properties of 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone?
2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone has a molecular weight of 313.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone is sourced from PubChem (CID 71080227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).