3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide

C10H12BrClN2O — CID 155666927

IUPAC3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
SMILESCNc1c(Br)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C10H12BrClN2O/c1-13-9-7(10(15)14(2)3)4-6(12)5-8(9)11/h4-5,13H,1-3H3
InChIKeyDKDWOOKJWGITLN-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.85
Rot. Bonds2

About 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide

3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide (PubChem CID 155666927) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
PubChem CID155666927
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
SMILESCNc1c(Br)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C10H12BrClN2O/c1-13-9-7(10(15)14(2)3)4-6(12)5-8(9)11/h4-5,13H,1-3H3
InChIKeyDKDWOOKJWGITLN-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-methyl-2-(methylamino)-N-propan-2-ylbenzamide
CID 155666914
3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 155666970
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
3,5-dichloro-N-ethyl-N-methyl-2-(methylamino)benzamide
CID 155666950
1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
CID 59068111
3-chloro-N-[2,4-dibromo-6-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 143057357
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
4-bromo-N,N,2,5-tetramethylbenzamide
CID 176915241
3,5-dichloro-2-(methylamino)benzohydrazide
CID 43828814
3,5-dibromo-4-(methylamino)benzoic acid
CID 170560173

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide?
The IUPAC name of 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide (CID 155666927) is 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide is CNc1c(Br)cc(Cl)cc1C(=O)N(C)C.
What is the InChIKey of 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide?
The InChIKey is DKDWOOKJWGITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-13-9-7(10(15)14(2)3)4-6(12)5-8(9)11/h4-5,13H,1-3H3.
What are the key properties of 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide?
3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide has a molecular weight of 291.58 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide is sourced from PubChem (CID 155666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).