N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

C16H15BrFNO — CID 62515868

IUPACN-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C16H15BrFNO/c1-11-7-8-15(18)13(9-11)16(20)19(2)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3
InChIKeyFDYZAPXTJUJYCM-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.17
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (PubChem CID 62515868) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
PubChem CID62515868
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C16H15BrFNO/c1-11-7-8-15(18)13(9-11)16(20)19(2)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3
InChIKeyFDYZAPXTJUJYCM-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

N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-bromophenyl)methyl]-N,5-dimethyl-2-(methylamino)benzamide
CID 62508720
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (CID 62515868) is N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The InChIKey is FDYZAPXTJUJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-7-8-15(18)13(9-11)16(20)19(2)10-12-5-3-4-6-14(12)17/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-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 N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 62515868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).