3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide

C15H13Br2ClN2O — CID 107980200

IUPAC3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2ClN2O/c1-20(2)14-12(18)4-3-5-13(14)19-15(21)9-6-10(16)8-11(17)7-9/h3-8H,1-2H3,(H,19,21)
InChIKeyOMWCZRVJGBFZIL-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.18
Rot. Bonds3

About 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide

3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide (PubChem CID 107980200) has the molecular formula C15H13Br2ClN2O and a molecular weight of 432.54 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
PubChem CID107980200
Molecular FormulaC15H13Br2ClN2O
Molecular Weight432.54 g/mol
Exact Mass429.91
IUPAC Name3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H13Br2ClN2O/c1-20(2)14-12(18)4-3-5-13(14)19-15(21)9-6-10(16)8-11(17)7-9/h3-8H,1-2H3,(H,19,21)
InChIKeyOMWCZRVJGBFZIL-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
CID 107951985
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 60615646

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide (CID 107980200) is 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide is CN(C)c1c(Cl)cccc1NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The InChIKey is OMWCZRVJGBFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClN2O/c1-20(2)14-12(18)4-3-5-13(14)19-15(21)9-6-10(16)8-11(17)7-9/h3-8H,1-2H3,(H,19,21).
What are the key properties of 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 107980200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).