2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide

C14H20ClNO2 — CID 110027430

IUPAC2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CCCO)cc1C
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(13(15)8-10(9)2)14(18)16-11(3)5-4-6-17/h7-8,11,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyFQSSUSRLENKLAD-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide

2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide (PubChem CID 110027430) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
PubChem CID110027430
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CCCO)cc1C
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(13(15)8-10(9)2)14(18)16-11(3)5-4-6-17/h7-8,11,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyFQSSUSRLENKLAD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide?
The IUPAC name of 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide (CID 110027430) is 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide is Cc1cc(Cl)c(C(=O)NC(C)CCCO)cc1C.
What is the InChIKey of 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide?
The InChIKey is FQSSUSRLENKLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-12(13(15)8-10(9)2)14(18)16-11(3)5-4-6-17/h7-8,11,17H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide?
2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide is sourced from PubChem (CID 110027430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).