N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide

C17H18BrNO — CID 91416066

IUPACN-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
SMILESCCN(Cc1cccc(Br)c1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18BrNO/c1-3-19(12-14-5-4-6-16(18)11-14)17(20)15-9-7-13(2)8-10-15/h4-11H,3,12H2,1-2H3
InChIKeyAKESSWODBAVKTB-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.42
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide

N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide (PubChem CID 91416066) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
PubChem CID91416066
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
SMILESCCN(Cc1cccc(Br)c1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18BrNO/c1-3-19(12-14-5-4-6-16(18)11-14)17(20)15-9-7-13(2)8-10-15/h4-11H,3,12H2,1-2H3
InChIKeyAKESSWODBAVKTB-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide (CID 91416066) is N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide is CCN(Cc1cccc(Br)c1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide?
The InChIKey is AKESSWODBAVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-3-19(12-14-5-4-6-16(18)11-14)17(20)15-9-7-13(2)8-10-15/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide?
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 91416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).