N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide

C13H17ClN2O2 — CID 47205683

IUPACN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-4-12(17)15-8-13(18)16-10-6-5-9(2)11(14)7-10/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNKPOKVXZHPDKCZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide (PubChem CID 47205683) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
PubChem CID47205683
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-4-12(17)15-8-13(18)16-10-6-5-9(2)11(14)7-10/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNKPOKVXZHPDKCZ-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide (CID 47205683) is N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide?
The InChIKey is NKPOKVXZHPDKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-4-12(17)15-8-13(18)16-10-6-5-9(2)11(14)7-10/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide?
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide has a molecular weight of 268.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 47205683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).