N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide

C14H18ClNO2 — CID 94278694

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-3-10(4-2)14(18)16-9-13(17)11-5-7-12(15)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeySQENPOVUSAVEBK-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide (PubChem CID 94278694) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
PubChem CID94278694
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-3-10(4-2)14(18)16-9-13(17)11-5-7-12(15)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeySQENPOVUSAVEBK-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
CID 125485524
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
4-chloro-N-(phenacylcarbamothioyl)benzamide
CID 2294592
3-(4-chlorobenzoyl)pentanoic acid
CID 174540259

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide (CID 94278694) is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is SQENPOVUSAVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-10(4-2)14(18)16-9-13(17)11-5-7-12(15)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 267.76 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 94278694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).