3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

C17H17BrClNO — CID 107999420

IUPAC3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-16(19)15(18)10-14/h4-10H,3,11H2,1-2H3
InChIKeyLAPXYQBJBHFWMK-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.07
Rot. Bonds4

About 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 107999420) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID107999420
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-16(19)15(18)10-14/h4-10H,3,11H2,1-2H3
InChIKeyLAPXYQBJBHFWMK-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (CID 107999420) is 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is CCN(Cc1cccc(C)c1)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is LAPXYQBJBHFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)14-7-8-16(19)15(18)10-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 366.69 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 107999420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).