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

C16H16Cl2N2O — CID 108998147

IUPACN-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-2-7-14(8-15(11)18)20-16(21)10-19-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyMHAGGUJQZMGKKV-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.03
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (PubChem CID 108998147) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
PubChem CID108998147
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-2-7-14(8-15(11)18)20-16(21)10-19-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyMHAGGUJQZMGKKV-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999660
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (CID 108998147) is N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is Cc1ccc(NC(=O)CNCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The InChIKey is MHAGGUJQZMGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-2-7-14(8-15(11)18)20-16(21)10-19-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide has a molecular weight of 323.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 108998147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).