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

C14H20ClNO2 — CID 106156836

IUPACN-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCC(C)CCl)ccc1O
InChIInChI=1S/C14H20ClNO2/c1-10(9-15)4-3-7-16-14(18)12-5-6-13(17)11(2)8-12/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGZFIOCAIPNDKAS-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.09
Rot. Bonds6

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

N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide (PubChem CID 106156836) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
PubChem CID106156836
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCC(C)CCl)ccc1O
InChIInChI=1S/C14H20ClNO2/c1-10(9-15)4-3-7-16-14(18)12-5-6-13(17)11(2)8-12/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyGZFIOCAIPNDKAS-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
CID 107673205
N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
CID 103957172
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide (CID 106156836) is N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCCCC(C)CCl)ccc1O.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is GZFIOCAIPNDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(9-15)4-3-7-16-14(18)12-5-6-13(17)11(2)8-12/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide?
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 106156836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).