2-(N-acetyl-4-chloroanilino)-N-propylacetamide

C13H17ClN2O2 — CID 113171472

IUPAC2-(N-acetyl-4-chloroanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)9-16(10(2)17)12-6-4-11(14)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyFQVMMLMGNZKPDW-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.22
Rot. Bonds5

About 2-(N-acetyl-4-chloroanilino)-N-propylacetamide

2-(N-acetyl-4-chloroanilino)-N-propylacetamide (PubChem CID 113171472) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N-propylacetamide
PubChem CID113171472
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(N-acetyl-4-chloroanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)9-16(10(2)17)12-6-4-11(14)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyFQVMMLMGNZKPDW-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-propan-2-ylanilino)-N-propylacetamide
CID 113169744
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
2-(4-chloro-N-(methylideneamino)anilino)-N-propylacetamide
CID 142976058
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
CID 113171553
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-propylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-propylacetamide (CID 113171472) is 2-(N-acetyl-4-chloroanilino)-N-propylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N-propylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N-propylacetamide is CCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N-propylacetamide?
The InChIKey is FQVMMLMGNZKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-8-15-13(18)9-16(10(2)17)12-6-4-11(14)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N-propylacetamide?
2-(N-acetyl-4-chloroanilino)-N-propylacetamide has a molecular weight of 268.74 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N-propylacetamide is sourced from PubChem (CID 113171472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).