3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide

C16H16BrClN2O — CID 61104847

IUPAC3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H16BrClN2O/c1-2-20(10-11-4-3-5-13(18)8-11)16(21)12-6-7-14(17)15(19)9-12/h3-9H,2,10,19H2,1H3
InChIKeyXJXUELYGLAVXKS-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.35
Rot. Bonds4

About 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide

3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide (PubChem CID 61104847) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
PubChem CID61104847
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H16BrClN2O/c1-2-20(10-11-4-3-5-13(18)8-11)16(21)12-6-7-14(17)15(19)9-12/h3-9H,2,10,19H2,1H3
InChIKeyXJXUELYGLAVXKS-UHFFFAOYSA-N
XLogP4.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.35
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

3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
CID 61106536
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide (CID 61104847) is 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide?
The InChIKey is XJXUELYGLAVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-2-20(10-11-4-3-5-13(18)8-11)16(21)12-6-7-14(17)15(19)9-12/h3-9H,2,10,19H2,1H3.
What are the key properties of 3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide?
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide has a molecular weight of 367.67 g/mol, XLogP of 4.35, 4 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-[(3-chlorophenyl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 61104847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).