5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C11H11BrClNO2 — CID 115764614

IUPAC5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO2/c12-7-1-2-9(13)8(5-7)10(16)14-11(6-15)3-4-11/h1-2,5,15H,3-4,6H2,(H,14,16)
InChIKeyDECBRPSRJKIMKX-UHFFFAOYSA-N
MW304.57 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide

5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 115764614) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID115764614
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO2/c12-7-1-2-9(13)8(5-7)10(16)14-11(6-15)3-4-11/h1-2,5,15H,3-4,6H2,(H,14,16)
InChIKeyDECBRPSRJKIMKX-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
5-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 103954078
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 115764614) is 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is O=C(NC1(CO)CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is DECBRPSRJKIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-7-1-2-9(13)8(5-7)10(16)14-11(6-15)3-4-11/h1-2,5,15H,3-4,6H2,(H,14,16).
What are the key properties of 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 304.57 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 115764614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).