N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide

C16H16BrClN2O — CID 104548150

IUPACN-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-10-12(18)6-7-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyOTXMBHQAQQQLJC-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.12
Rot. Bonds5

About N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide

N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104548150) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104548150
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-10-12(18)6-7-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyOTXMBHQAQQQLJC-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547383
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
CID 107033062
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide (CID 104548150) is N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is OTXMBHQAQQQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-10-12(18)6-7-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide?
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 367.67 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104548150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).