5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide

C14H20ClNO — CID 81356972

IUPAC5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyDXNVBLNGITWINP-GFCCVEGCSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds6

About 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide

5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide (PubChem CID 81356972) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
PubChem CID81356972
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyDXNVBLNGITWINP-GFCCVEGCSA-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

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
N,N'-bis[1-(4-methylphenyl)ethyl]hexadeca-7,9-diynediamide
CID 122396219
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide (CID 81356972) is 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide is Cc1ccc([C@@H](C)NC(=O)CCCCCl)cc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
The InChIKey is DXNVBLNGITWINP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-6-8-13(9-7-11)12(2)16-14(17)5-3-4-10-15/h6-9,12H,3-5,10H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide?
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide 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 5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 81356972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).