1,1-bis(N-phenylanilino)propan-2-one

C27H24N2O — CID 141093268

IUPAC1,1-bis(N-phenylanilino)propan-2-one
SMILESCC(=O)C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2O/c1-22(30)27(28(23-14-6-2-7-15-23)24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,1H3
InChIKeyKJKWZWQKJQHOAH-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.58
Rot. Bonds7

About 1,1-bis(N-phenylanilino)propan-2-one

1,1-bis(N-phenylanilino)propan-2-one (PubChem CID 141093268) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1,1-bis(N-phenylanilino)propan-2-one.

Molecular Properties

Compound Name1,1-bis(N-phenylanilino)propan-2-one
PubChem CID141093268
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name1,1-bis(N-phenylanilino)propan-2-one
SMILESCC(=O)C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2O/c1-22(30)27(28(23-14-6-2-7-15-23)24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,1H3
InChIKeyKJKWZWQKJQHOAH-UHFFFAOYSA-N
XLogP6.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide
CID 54705555
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
1-iodo-1-phenylpropan-2-one
CID 11322912
(2S)-2-(N-(4-bromophenyl)anilino)propanoic acid
CID 142700956
2-methyl-5-phenyl-5-(N-phenylanilino)pent-2-enoic acid
CID 69434874
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
3-oxo-2-[phenyl(sulfanyl)methyl]butanoic acid
CID 56995833
N-acetyl-2,2-difluoro-N-phenylacetamide
CID 175560848

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(N-phenylanilino)propan-2-one?
The IUPAC name of 1,1-bis(N-phenylanilino)propan-2-one (CID 141093268) is 1,1-bis(N-phenylanilino)propan-2-one.
What is the SMILES notation for 1,1-bis(N-phenylanilino)propan-2-one?
The canonical SMILES for 1,1-bis(N-phenylanilino)propan-2-one is CC(=O)C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-bis(N-phenylanilino)propan-2-one?
The InChIKey is KJKWZWQKJQHOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-22(30)27(28(23-14-6-2-7-15-23)24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27H,1H3.
What are the key properties of 1,1-bis(N-phenylanilino)propan-2-one?
1,1-bis(N-phenylanilino)propan-2-one has a molecular weight of 392.50 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(N-phenylanilino)propan-2-one is sourced from PubChem (CID 141093268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).