3-(4-chlorophenyl)-N-pentan-3-ylpropanamide

C14H20ClNO — CID 94500233

IUPAC3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-13(4-2)16-14(17)10-7-11-5-8-12(15)9-6-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,16,17)
InChIKeyPLVUSGZXYISVED-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds6

About 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide

3-(4-chlorophenyl)-N-pentan-3-ylpropanamide (PubChem CID 94500233) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
PubChem CID94500233
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-13(4-2)16-14(17)10-7-11-5-8-12(15)9-6-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,16,17)
InChIKeyPLVUSGZXYISVED-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
CID 143571262
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide
CID 145350303
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
3-[3-(4-chlorophenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218761
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide (CID 94500233) is 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide?
The InChIKey is PLVUSGZXYISVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-13(4-2)16-14(17)10-7-11-5-8-12(15)9-6-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide?
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 94500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).