N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide

C16H16Cl2N2O — CID 9041038

IUPACN-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-5-7-13(17)8-6-12)11-16(21)19-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVBHQIMDHIZLSSP-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.06
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide

N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 9041038) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
PubChem CID9041038
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-5-7-13(17)8-6-12)11-16(21)19-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyVBHQIMDHIZLSSP-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide (CID 9041038) is N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is VBHQIMDHIZLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(10-12-5-7-13(17)8-6-12)11-16(21)19-15-4-2-3-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 323.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9041038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).