3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide

C9H9BrClNO2 — CID 103993764

IUPAC3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(Br)c1Cl
InChIInChI=1S/C9H9BrClNO2/c10-7-3-1-2-6(8(7)11)9(14)12-4-5-13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyJEHFRKYQRAUJLQ-UHFFFAOYSA-N
MW278.53 g/mol
LogP1.82
Rot. Bonds3

About 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide

3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 103993764) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID103993764
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(Br)c1Cl
InChIInChI=1S/C9H9BrClNO2/c10-7-3-1-2-6(8(7)11)9(14)12-4-5-13/h1-3,13H,4-5H2,(H,12,14)
InChIKeyJEHFRKYQRAUJLQ-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
3-bromo-2-chloro-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103989334
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide (CID 103993764) is 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is JEHFRKYQRAUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-7-3-1-2-6(8(7)11)9(14)12-4-5-13/h1-3,13H,4-5H2,(H,12,14).
What are the key properties of 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide?
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 278.53 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103993764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).