3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide

C12H16ClNO2 — CID 81002624

IUPAC3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16ClNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyFFUWESMFEDJROO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide

3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide (PubChem CID 81002624) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
PubChem CID81002624
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16ClNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyFFUWESMFEDJROO-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide (CID 81002624) is 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCCC(C)O)c1.
What is the InChIKey of 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide?
The InChIKey is FFUWESMFEDJROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide?
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide is sourced from PubChem (CID 81002624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).