[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone

C21H20N2O — CID 11738595

IUPAC[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O/c1-23(2)20-14-12-19(13-15-20)22-18-10-8-17(9-11-18)21(24)16-6-4-3-5-7-16/h3-15,22H,1-2H3
InChIKeyIPKIYVQTKCQQNK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.73
Rot. Bonds5

About [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone

[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone (PubChem CID 11738595) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
PubChem CID11738595
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O/c1-23(2)20-14-12-19(13-15-20)22-18-10-8-17(9-11-18)21(24)16-6-4-3-5-7-16/h3-15,22H,1-2H3
InChIKeyIPKIYVQTKCQQNK-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
CID 102282703
CID 102282703
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
N'-(4-anilinophenyl)-N'-phenylbenzohydrazide
CID 21276074
N-[2-(4-benzoylanilino)phenyl]acetamide
CID 18358189
2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone (CID 11738595) is [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone is CN(C)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone?
The InChIKey is IPKIYVQTKCQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-23(2)20-14-12-19(13-15-20)22-18-10-8-17(9-11-18)21(24)16-6-4-3-5-7-16/h3-15,22H,1-2H3.
What are the key properties of [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone?
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone has a molecular weight of 316.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone is sourced from PubChem (CID 11738595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).