N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

C18H19ClN2O2 — CID 4781646

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyZMDVOKYVUKBQEN-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (PubChem CID 4781646) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
PubChem CID4781646
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22)
InChIKeyZMDVOKYVUKBQEN-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
CID 63307722
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41377657
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide (CID 4781646) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is ZMDVOKYVUKBQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21(18(23)12-7-14-5-3-2-4-6-14)13-17(22)20-16-10-8-15(19)9-11-16/h2-6,8-11H,7,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 4781646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).