3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide

C13H14BrClN2O2 — CID 67501640

IUPAC3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1C(N)=O)C1CC1
InChIInChI=1S/C13H14BrClN2O2/c1-6(7-2-3-7)17-13(19)9-4-8(15)5-10(14)11(9)12(16)18/h4-7H,2-3H2,1H3,(H2,16,18)(H,17,19)
InChIKeyXMZCFQKROZQNKP-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.73
Rot. Bonds4

About 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide

3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide (PubChem CID 67501640) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide
PubChem CID67501640
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1C(N)=O)C1CC1
InChIInChI=1S/C13H14BrClN2O2/c1-6(7-2-3-7)17-13(19)9-4-8(15)5-10(14)11(9)12(16)18/h4-7H,2-3H2,1H3,(H2,16,18)(H,17,19)
InChIKeyXMZCFQKROZQNKP-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 746126
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide (CID 67501640) is 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide is CC(NC(=O)c1cc(Cl)cc(Br)c1C(N)=O)C1CC1.
What is the InChIKey of 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide?
The InChIKey is XMZCFQKROZQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-6(7-2-3-7)17-13(19)9-4-8(15)5-10(14)11(9)12(16)18/h4-7H,2-3H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide?
3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide has a molecular weight of 345.62 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 67501640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).