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

C18H19ClN2O2 — CID 112992693

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13-4-2-3-5-15(13)10-17(22)21-12-18(23)20-11-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyIHWLUZNTRANARJ-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.62
Rot. Bonds6

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

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide (PubChem CID 112992693) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
PubChem CID112992693
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13-4-2-3-5-15(13)10-17(22)21-12-18(23)20-11-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyIHWLUZNTRANARJ-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
4-(2-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]butanamide
CID 110625400
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
CID 108946748

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide (CID 112992693) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is IHWLUZNTRANARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-4-2-3-5-15(13)10-17(22)21-12-18(23)20-11-14-6-8-16(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 330.81 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112992693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).