4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide

C14H20ClNO2 — CID 103919086

IUPAC4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCCO)ccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11-10-12(6-7-13(11)15)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyIWAANWPVMGRTHU-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.93
Rot. Bonds7

About 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide

4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide (PubChem CID 103919086) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
PubChem CID103919086
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCCCCO)ccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-11-10-12(6-7-13(11)15)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyIWAANWPVMGRTHU-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
N-hexyl-3,4-dimethylbenzamide
CID 4523484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide (CID 103919086) is 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide is Cc1cc(C(=O)NCCCCCCO)ccc1Cl.
What is the InChIKey of 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide?
The InChIKey is IWAANWPVMGRTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-10-12(6-7-13(11)15)14(18)16-8-4-2-3-5-9-17/h6-7,10,17H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide?
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide is sourced from PubChem (CID 103919086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).