2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide

C16H15BrFNO — CID 103852799

IUPAC2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2F)c1Br
InChIInChI=1S/C16H15BrFNO/c1-11-6-5-8-13(15(11)17)16(20)19(2)10-12-7-3-4-9-14(12)18/h3-9H,10H2,1-2H3
InChIKeyRXRLTSZASDQAAZ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide

2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 103852799) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID103852799
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccccc2F)c1Br
InChIInChI=1S/C16H15BrFNO/c1-11-6-5-8-13(15(11)17)16(20)19(2)10-12-7-3-4-9-14(12)18/h3-9H,10H2,1-2H3
InChIKeyRXRLTSZASDQAAZ-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-bromo-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 103853024
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide (CID 103852799) is 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccccc2F)c1Br.
What is the InChIKey of 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is RXRLTSZASDQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-6-5-8-13(15(11)17)16(20)19(2)10-12-7-3-4-9-14(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide?
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 103852799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).