3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

C16H16BrClN2O — CID 61105778

IUPAC3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H16BrClN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3
InChIKeyIGDRBVAVFALNSN-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.52
Rot. Bonds3

About 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (PubChem CID 61105778) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
PubChem CID61105778
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H16BrClN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3
InChIKeyIGDRBVAVFALNSN-UHFFFAOYSA-N
XLogP4.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.52
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-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
3-chloro-N-[1-(2-hydroxyphenyl)ethyl]-4-iodo-N-methylbenzamide
CID 103867275
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (CID 61105778) is 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1Cl)N(C)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is IGDRBVAVFALNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10(12-5-3-4-6-14(12)18)20(2)16(21)11-7-8-13(17)15(19)9-11/h3-10H,19H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 367.67 g/mol, XLogP of 4.52, 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-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61105778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).