3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

C17H18BrNO — CID 17327144

IUPAC3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20)
InChIKeyFASRFUWYWHWBMW-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.56
Rot. Bonds3

About 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (PubChem CID 17327144) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
PubChem CID17327144
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20)
InChIKeyFASRFUWYWHWBMW-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (CID 17327144) is 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is Cc1ccc(C)c(C(C)NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is FASRFUWYWHWBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-7-8-12(2)16(9-11)13(3)19-17(20)14-5-4-6-15(18)10-14/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 17327144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).