3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide

C16H17BrN2O — CID 61091736

IUPAC3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1C
InChIInChI=1S/C16H17BrN2O/c1-3-19(15-7-5-4-6-11(15)2)16(20)12-8-9-13(17)14(18)10-12/h4-10H,3,18H2,1-2H3
InChIKeyAZAORBKBUYCXFL-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.01
Rot. Bonds3

About 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide

3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide (PubChem CID 61091736) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
PubChem CID61091736
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1C
InChIInChI=1S/C16H17BrN2O/c1-3-19(15-7-5-4-6-11(15)2)16(20)12-8-9-13(17)14(18)10-12/h4-10H,3,18H2,1-2H3
InChIKeyAZAORBKBUYCXFL-UHFFFAOYSA-N
XLogP4.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
2-Bromo-N-M-tolyl-benzamide
CID 532187
3-[(4-bromobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664133
(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 5379238
Benzamide, N-(2-bromophenyl)-
CID 101311
4-bromo-N-phenylbenzamide
CID 690966
2-bromo-N-(2-methylphenyl)benzamide
CID 710592
N1-(4-bromophenyl)-N2,N2-dipentylphthalamide
CID 2836828
4-bromo-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 668693
4-bromo-N-ethyl-N-phenylbenzamide
CID 838389
N-(4-{[3-(4-bromophenyl)-3-oxo-1-propen-1-yl]amino}phenyl)acetamide
CID 2267567
N-benzyl-3-(dimethylamino)benzamide
CID 2567270

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide (CID 61091736) is 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide is CCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1C.
What is the InChIKey of 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The InChIKey is AZAORBKBUYCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-19(15-7-5-4-6-11(15)2)16(20)12-8-9-13(17)14(18)10-12/h4-10H,3,18H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide has a molecular weight of 333.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 61091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).