3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide

C14H20ClNO2 — CID 113340834

IUPAC3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCCC(C)CO)c1
InChIInChI=1S/C14H20ClNO2/c1-10(9-17)4-3-5-16-14(18)12-6-11(2)7-13(15)8-12/h6-8,10,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyKSNFCKFUNMYBMO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.79
Rot. Bonds6

About 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide

3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide (PubChem CID 113340834) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
PubChem CID113340834
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCCC(C)CO)c1
InChIInChI=1S/C14H20ClNO2/c1-10(9-17)4-3-5-16-14(18)12-6-11(2)7-13(15)8-12/h6-8,10,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyKSNFCKFUNMYBMO-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
N-(5-chloro-4-methylpentyl)-3-methyl-5-nitrobenzamide
CID 106156824
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide (CID 113340834) is 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCCCC(C)CO)c1.
What is the InChIKey of 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide?
The InChIKey is KSNFCKFUNMYBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(9-17)4-3-5-16-14(18)12-6-11(2)7-13(15)8-12/h6-8,10,17H,3-5,9H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide?
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide is sourced from PubChem (CID 113340834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).