N-(3-chlorophenyl)-N-propylacetamide

C11H14ClNO — CID 174491562

IUPACN-(3-chlorophenyl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3
InChIKeyXVEBPBYUMYMUES-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.10
Rot. Bonds3

About N-(3-chlorophenyl)-N-propylacetamide

N-(3-chlorophenyl)-N-propylacetamide (PubChem CID 174491562) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-propylacetamide
PubChem CID174491562
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(3-chlorophenyl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3
InChIKeyXVEBPBYUMYMUES-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-N-propylacetamide
CID 67272874
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
CID 104700865
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
N-butyl-N-(3-chlorophenyl)-2-methylpropanamide
CID 18736118
N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
CID 143706089
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
N-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7353332

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-propylacetamide?
The IUPAC name of N-(3-chlorophenyl)-N-propylacetamide (CID 174491562) is N-(3-chlorophenyl)-N-propylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-propylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-propylacetamide is CCCN(C(C)=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-propylacetamide?
The InChIKey is XVEBPBYUMYMUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-7-13(9(2)14)11-6-4-5-10(12)8-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-propylacetamide?
N-(3-chlorophenyl)-N-propylacetamide has a molecular weight of 211.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-propylacetamide is sourced from PubChem (CID 174491562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).