2,5-dibromo-N-(cyclopropylmethyl)benzamide

C11H11Br2NO — CID 114369762

IUPAC2,5-dibromo-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H11Br2NO/c12-8-3-4-10(13)9(5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15)
InChIKeyVTFNVRDXYLQCSB-UHFFFAOYSA-N
MW333.02 g/mol
LogP3.35
Rot. Bonds3

About 2,5-dibromo-N-(cyclopropylmethyl)benzamide

2,5-dibromo-N-(cyclopropylmethyl)benzamide (PubChem CID 114369762) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is 2,5-dibromo-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(cyclopropylmethyl)benzamide
PubChem CID114369762
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name2,5-dibromo-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H11Br2NO/c12-8-3-4-10(13)9(5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15)
InChIKeyVTFNVRDXYLQCSB-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
4-[[(2-amino-5-bromobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470552
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
4-[[(5-bromo-2-methylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526397
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(cyclopropylmethyl)benzamide (CID 114369762) is 2,5-dibromo-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(cyclopropylmethyl)benzamide is O=C(NCC1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(cyclopropylmethyl)benzamide?
The InChIKey is VTFNVRDXYLQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c12-8-3-4-10(13)9(5-8)11(15)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15).
What are the key properties of 2,5-dibromo-N-(cyclopropylmethyl)benzamide?
2,5-dibromo-N-(cyclopropylmethyl)benzamide has a molecular weight of 333.02 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 114369762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).