3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide

C10H11BrClNO2 — CID 103884654

IUPAC3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyDCQDWHYVKWTAHP-LURJTMIESA-N
MW292.56 g/mol
LogP2.21
Rot. Bonds3

About 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 103884654) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID103884654
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyDCQDWHYVKWTAHP-LURJTMIESA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
CID 99599053
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
CID 83032262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide (CID 103884654) is 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide is C[C@H](O)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is DCQDWHYVKWTAHP-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide?
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 292.56 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 103884654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).