3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide

C15H22ClNO — CID 115162612

IUPAC3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
SMILESCC(C)Cc1ccc(CCNC(=O)CCCl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(2)11-14-5-3-13(4-6-14)8-10-17-15(18)7-9-16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyHVKBJWYUGOYDEH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.17
Rot. Bonds7

About 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide

3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide (PubChem CID 115162612) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
PubChem CID115162612
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
SMILESCC(C)Cc1ccc(CCNC(=O)CCCl)cc1
InChIInChI=1S/C15H22ClNO/c1-12(2)11-14-5-3-13(4-6-14)8-10-17-15(18)7-9-16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyHVKBJWYUGOYDEH-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
2-[4-(2-methylpropyl)phenyl]ethylcarbamothioic S-acid
CID 115170240
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide (CID 115162612) is 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide is CC(C)Cc1ccc(CCNC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide?
The InChIKey is HVKBJWYUGOYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(2)11-14-5-3-13(4-6-14)8-10-17-15(18)7-9-16/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide?
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide has a molecular weight of 267.80 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 115162612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).