4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide

C16H18BrN3O — CID 63357471

IUPAC4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-19-16(21)12-5-8-14(18)15(9-12)20(2)10-11-3-6-13(17)7-4-11/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyBVJGEWDNESDVMQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.03
Rot. Bonds4

About 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide

4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide (PubChem CID 63357471) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
PubChem CID63357471
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-19-16(21)12-5-8-14(18)15(9-12)20(2)10-11-3-6-13(17)7-4-11/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyBVJGEWDNESDVMQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(4-bromothiophen-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82988917
4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide
CID 63357356
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
4-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]benzamide
CID 63356603
N-methyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
CID 26448032
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 17459938
3-amino-4-(4-bromophenyl)sulfanyl-N-methylbenzamide
CID 78984501
3-amino-4-[(4-bromophenyl)methyl-methylamino]benzonitrile
CID 61415342
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide (CID 63357471) is 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(N(C)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide?
The InChIKey is BVJGEWDNESDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-19-16(21)12-5-8-14(18)15(9-12)20(2)10-11-3-6-13(17)7-4-11/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide?
4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide is sourced from PubChem (CID 63357471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).