4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide

C16H16BrClN2O — CID 81295152

IUPAC4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(Br)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16BrClN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyCCNDHAIRDBNQRH-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.97
Rot. Bonds5

About 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide

4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 81295152) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID81295152
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(Br)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16BrClN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyCCNDHAIRDBNQRH-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
4-chloro-N-[2-(N-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27298071
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide (CID 81295152) is 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide is CN(CCNC(=O)c1ccc(Br)c(Cl)c1)c1ccccc1.
What is the InChIKey of 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is CCNDHAIRDBNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-20(13-5-3-2-4-6-13)10-9-19-16(21)12-7-8-14(17)15(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide?
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 367.67 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 81295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).