2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide

C19H21ClN2O2 — CID 8914683

IUPAC2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)17(10-13)21-18(23)12-22(3)19(24)11-15-6-8-16(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyYTJWWYBIDNBWNO-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide

2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 8914683) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID8914683
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)17(10-13)21-18(23)12-22(3)19(24)11-15-6-8-16(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyYTJWWYBIDNBWNO-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24978921
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 9480001
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 17491744
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 17475034
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9041050

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide (CID 8914683) is 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is YTJWWYBIDNBWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-4-5-14(2)17(10-13)21-18(23)12-22(3)19(24)11-15-6-8-16(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide?
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 344.84 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 8914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).