N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide

C13H17ClN2O2 — CID 63307722

IUPACN-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CCCCl
InChIInChI=1S/C13H17ClN2O2/c1-16(13(18)8-5-9-14)10-12(17)15-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17)
InChIKeyYCFSEZBLUHMORD-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.10
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide

N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide (PubChem CID 63307722) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
PubChem CID63307722
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)CCCCl
InChIInChI=1S/C13H17ClN2O2/c1-16(13(18)8-5-9-14)10-12(17)15-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17)
InChIKeyYCFSEZBLUHMORD-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
N-(2-anilino-2-oxoethyl)-2-(cyclopentylamino)-N-methylacetamide
CID 60944498
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide
CID 51091626
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide (CID 63307722) is N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide is CN(CC(=O)Nc1ccccc1)C(=O)CCCCl.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide?
The InChIKey is YCFSEZBLUHMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(13(18)8-5-9-14)10-12(17)15-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,17).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide?
N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide has a molecular weight of 268.74 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide is sourced from PubChem (CID 63307722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).