2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide

C15H22ClNO2 — CID 110028260

IUPAC2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCCCCCO)cc1C
InChIInChI=1S/C15H22ClNO2/c1-11-9-13(14(16)10-12(11)2)15(19)17-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyDDSCKMNFUWCSMR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.24
Rot. Bonds7

About 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide

2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide (PubChem CID 110028260) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
PubChem CID110028260
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCCCCCO)cc1C
InChIInChI=1S/C15H22ClNO2/c1-11-9-13(14(16)10-12(11)2)15(19)17-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyDDSCKMNFUWCSMR-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
CID 110027430
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide?
The IUPAC name of 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide (CID 110028260) is 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide is Cc1cc(Cl)c(C(=O)NCCCCCCO)cc1C.
What is the InChIKey of 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide?
The InChIKey is DDSCKMNFUWCSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-9-13(14(16)10-12(11)2)15(19)17-7-5-3-4-6-8-18/h9-10,18H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide?
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 110028260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).