2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide

C11H11BrClNO — CID 103765307

IUPAC2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C11H11BrClNO/c1-11(4-5-11)14-10(15)8-3-2-7(13)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyPFRDOYMRYMQSOZ-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.38
Rot. Bonds2

About 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide

2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide (PubChem CID 103765307) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
PubChem CID103765307
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C11H11BrClNO/c1-11(4-5-11)14-10(15)8-3-2-7(13)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyPFRDOYMRYMQSOZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103677274
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
CID 107987700
2-bromo-4-chloro-N-(3-cyanothiolan-3-yl)benzamide
CID 103764911
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide (CID 103765307) is 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide is CC1(NC(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide?
The InChIKey is PFRDOYMRYMQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-11(4-5-11)14-10(15)8-3-2-7(13)6-9(8)12/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide?
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide has a molecular weight of 288.57 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 103765307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).