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

C14H20ClNO2 — CID 103760453

IUPAC4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)11-5-6-12(15)10(2)8-11/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyMBJZTRKXVUPXPX-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds5

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

4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide (PubChem CID 103760453) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
PubChem CID103760453
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)11-5-6-12(15)10(2)8-11/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyMBJZTRKXVUPXPX-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
N-(4-bromo-2,2-dimethylbutyl)-4-chloro-3-methylbenzamide
CID 114149501
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide (CID 103760453) is 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide is CCCC(C)(O)CNC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide?
The InChIKey is MBJZTRKXVUPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-7-14(3,18)9-16-13(17)11-5-6-12(15)10(2)8-11/h5-6,8,18H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide?
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide is sourced from PubChem (CID 103760453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).