N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide

C16H17BrN2O — CID 61378055

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyRNWHIGUSKCHNHS-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.76
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide

N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide (PubChem CID 61378055) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
PubChem CID61378055
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyRNWHIGUSKCHNHS-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide (CID 61378055) is N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide is CNc1ccccc1C(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
The InChIKey is RNWHIGUSKCHNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-18-15-9-4-3-8-14(15)16(20)19(2)11-12-6-5-7-13(17)10-12/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide?
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 61378055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).