5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide

C14H20ClNO2 — CID 103861766

IUPAC5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H20ClNO2/c1-10(9-17)4-3-7-16-14(18)13-8-12(15)6-5-11(13)2/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyAFWHDXYNOYJFQZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.79
Rot. Bonds6

About 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide

5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide (PubChem CID 103861766) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
PubChem CID103861766
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCCC(C)CO
InChIInChI=1S/C14H20ClNO2/c1-10(9-17)4-3-7-16-14(18)13-8-12(15)6-5-11(13)2/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyAFWHDXYNOYJFQZ-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

2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide (CID 103861766) is 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCCCC(C)CO.
What is the InChIKey of 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide?
The InChIKey is AFWHDXYNOYJFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(9-17)4-3-7-16-14(18)13-8-12(15)6-5-11(13)2/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide?
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-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 5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 103861766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).