2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide

C15H15BrClN3O — CID 114887499

IUPAC2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide
SMILESCN(Cc1cc(N)ccc1Cl)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C15H15BrClN3O/c1-20(8-9-7-10(18)5-6-12(9)17)13-4-2-3-11(16)14(13)15(19)21/h2-7H,8,18H2,1H3,(H2,19,21)
InChIKeySWNIXDGHPNJYLT-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.42
Rot. Bonds4

About 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide

2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide (PubChem CID 114887499) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide.

Molecular Properties

Compound Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide
PubChem CID114887499
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide
SMILESCN(Cc1cc(N)ccc1Cl)c1cccc(Br)c1C(N)=O
InChIInChI=1S/C15H15BrClN3O/c1-20(8-9-7-10(18)5-6-12(9)17)13-4-2-3-11(16)14(13)15(19)21/h2-7H,8,18H2,1H3,(H2,19,21)
InChIKeySWNIXDGHPNJYLT-UHFFFAOYSA-N
XLogP3.42
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.42
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

2-[(3-aminophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887491
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
CID 62308693
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
3-[[(3-bromophenyl)methyl-methylamino]methyl]-4-chloroaniline
CID 61415895
3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine
CID 23440219
2-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide?
The IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide (CID 114887499) is 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide.
What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide?
The canonical SMILES for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide is CN(Cc1cc(N)ccc1Cl)c1cccc(Br)c1C(N)=O.
What is the InChIKey of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide?
The InChIKey is SWNIXDGHPNJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(8-9-7-10(18)5-6-12(9)17)13-4-2-3-11(16)14(13)15(19)21/h2-7H,8,18H2,1H3,(H2,19,21).
What are the key properties of 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide?
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide has a molecular weight of 368.66 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide is sourced from PubChem (CID 114887499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).