2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone

C21H17Cl2NO — CID 134096147

IUPAC2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C21H17Cl2NO/c22-18-12-11-17(19(23)13-18)14-24-20(15-7-3-1-4-8-15)21(25)16-9-5-2-6-10-16/h1-13,20,24H,14H2
InChIKeyBUMATVSBVPUVIH-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.71
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone

2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone (PubChem CID 134096147) has the molecular formula C21H17Cl2NO and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
PubChem CID134096147
Molecular FormulaC21H17Cl2NO
Molecular Weight370.28 g/mol
Exact Mass369.07
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C21H17Cl2NO/c22-18-12-11-17(19(23)13-18)14-24-20(15-7-3-1-4-8-15)21(25)16-9-5-2-6-10-16/h1-13,20,24H,14H2
InChIKeyBUMATVSBVPUVIH-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide
CID 46762705
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
CID 66160749
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(2R)-2-[(2-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylacetamide
CID 31878604
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
(2S)-2-[(2,4-dichlorophenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid
CID 15984180
(4-fluorophenyl)methyl (2S)-2-[(2,4-dichlorophenyl)methylamino]-3-phenylpropanoate
CID 176897825
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone (CID 134096147) is 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone is O=C(c1ccccc1)C(NCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone?
The InChIKey is BUMATVSBVPUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO/c22-18-12-11-17(19(23)13-18)14-24-20(15-7-3-1-4-8-15)21(25)16-9-5-2-6-10-16/h1-13,20,24H,14H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone?
2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone has a molecular weight of 370.28 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone is sourced from PubChem (CID 134096147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).