2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide

C13H17BrClNO2 — CID 111461022

IUPAC2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClNO2/c1-8(2)12(17)5-6-16-13(18)10-7-9(15)3-4-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyOEQKIBZRNIHDFO-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.24
Rot. Bonds5

About 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide

2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide (PubChem CID 111461022) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
PubChem CID111461022
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H17BrClNO2/c1-8(2)12(17)5-6-16-13(18)10-7-9(15)3-4-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyOEQKIBZRNIHDFO-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
3-bromo-N-(3-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 111470382
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide (CID 111461022) is 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide is CC(C)C(O)CCNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide?
The InChIKey is OEQKIBZRNIHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-8(2)12(17)5-6-16-13(18)10-7-9(15)3-4-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide?
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 111461022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).