N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide

C12H16ClNO2 — CID 107673039

IUPACN-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)CCl)ccc1O
InChIInChI=1S/C12H16ClNO2/c1-8(6-13)7-14-12(16)10-3-4-11(15)9(2)5-10/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyOMYUZKWOTCMUTJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.31
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide

N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107673039) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
PubChem CID107673039
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)CCl)ccc1O
InChIInChI=1S/C12H16ClNO2/c1-8(6-13)7-14-12(16)10-3-4-11(15)9(2)5-10/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyOMYUZKWOTCMUTJ-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
4-hydroxy-3-methyl-N-(2-prop-2-enoxypropyl)benzamide
CID 114264190
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
N-(3-bromo-2,2-dimethylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673135

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide (CID 107673039) is N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCC(C)CCl)ccc1O.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is OMYUZKWOTCMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(6-13)7-14-12(16)10-3-4-11(15)9(2)5-10/h3-5,8,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide?
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).