N-[3-(3-chlorophenyl)propyl]pentanamide

C14H20ClNO — CID 10562858

IUPACN-[3-(3-chlorophenyl)propyl]pentanamide
SMILESCCCCC(=O)NCCCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-2-3-9-14(17)16-10-5-7-12-6-4-8-13(15)11-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyOOHVLYTVVLHDIC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds7

About N-[3-(3-chlorophenyl)propyl]pentanamide

N-[3-(3-chlorophenyl)propyl]pentanamide (PubChem CID 10562858) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]pentanamide
PubChem CID10562858
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[3-(3-chlorophenyl)propyl]pentanamide
SMILESCCCCC(=O)NCCCc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-2-3-9-14(17)16-10-5-7-12-6-4-8-13(15)11-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyOOHVLYTVVLHDIC-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-(4-phenylbutyl)hexanamide
CID 4985988
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]pentanamide?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]pentanamide (CID 10562858) is N-[3-(3-chlorophenyl)propyl]pentanamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]pentanamide?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]pentanamide is CCCCC(=O)NCCCc1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]pentanamide?
The InChIKey is OOHVLYTVVLHDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-9-14(17)16-10-5-7-12-6-4-8-13(15)11-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-[3-(3-chlorophenyl)propyl]pentanamide?
N-[3-(3-chlorophenyl)propyl]pentanamide has a molecular weight of 253.77 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]pentanamide is sourced from PubChem (CID 10562858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).