4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide

C17H18BrN3O2 — CID 2657336

IUPAC4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(10-12-2-6-14(18)7-3-12)11-16(22)20-15-8-4-13(5-9-15)17(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyPQFJBAAFKPNXTM-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.62
Rot. Bonds6

About 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide

4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide (PubChem CID 2657336) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
PubChem CID2657336
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2/c1-21(10-12-2-6-14(18)7-3-12)11-16(22)20-15-8-4-13(5-9-15)17(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyPQFJBAAFKPNXTM-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
4-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126072579
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-[(4-bromophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698720
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
CID 78964466
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 86979182
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide (CID 2657336) is 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide?
The InChIKey is PQFJBAAFKPNXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-21(10-12-2-6-14(18)7-3-12)11-16(22)20-15-8-4-13(5-9-15)17(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide?
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide has a molecular weight of 376.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 2657336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).