2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide

C17H19BrN2O — CID 103852994

IUPAC2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCN(C)c2ccccc2)c1Br
InChIInChI=1S/C17H19BrN2O/c1-13-7-6-10-15(16(13)18)17(21)19-11-12-20(2)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyPQFJLGXOVSHJCF-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.62
Rot. Bonds5

About 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide

2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 103852994) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID103852994
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCN(C)c2ccccc2)c1Br
InChIInChI=1S/C17H19BrN2O/c1-13-7-6-10-15(16(13)18)17(21)19-11-12-20(2)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyPQFJLGXOVSHJCF-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94613823
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 55996601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide (CID 103852994) is 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide is Cc1cccc(C(=O)NCCN(C)c2ccccc2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is PQFJLGXOVSHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13-7-6-10-15(16(13)18)17(21)19-11-12-20(2)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 103852994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).