2-bromo-N-(2-chloropropyl)-5-methylbenzamide

C11H13BrClNO — CID 114296737

IUPAC2-bromo-N-(2-chloropropyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCC(C)Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-7-3-4-10(12)9(5-7)11(15)14-6-8(2)13/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyWNDHMEWAEWASPS-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-N-(2-chloropropyl)-5-methylbenzamide

2-bromo-N-(2-chloropropyl)-5-methylbenzamide (PubChem CID 114296737) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-bromo-N-(2-chloropropyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloropropyl)-5-methylbenzamide
PubChem CID114296737
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-bromo-N-(2-chloropropyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCC(C)Cl)c1
InChIInChI=1S/C11H13BrClNO/c1-7-3-4-10(12)9(5-7)11(15)14-6-8(2)13/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyWNDHMEWAEWASPS-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
4-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81110667
2-[[(2-bromo-5-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 81110372
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-bromo-N-(3-bromobutyl)-5-methylbenzamide
CID 114312710
3-[(2-bromo-5-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144195
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloropropyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloropropyl)-5-methylbenzamide (CID 114296737) is 2-bromo-N-(2-chloropropyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloropropyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloropropyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCC(C)Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloropropyl)-5-methylbenzamide?
The InChIKey is WNDHMEWAEWASPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-7-3-4-10(12)9(5-7)11(15)14-6-8(2)13/h3-5,8H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-chloropropyl)-5-methylbenzamide?
2-bromo-N-(2-chloropropyl)-5-methylbenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloropropyl)-5-methylbenzamide is sourced from PubChem (CID 114296737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).