N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide

C16H15BrFNO2 — CID 80960501

IUPACN-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-3-6-13(17)7-4-11)16(20)12-5-8-14(18)15(9-12)21-2/h3-9H,10H2,1-2H3
InChIKeyNCNYICVNZXVFFT-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.87
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide (PubChem CID 80960501) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
PubChem CID80960501
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(Br)cc2)ccc1F
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-3-6-13(17)7-4-11)16(20)12-5-8-14(18)15(9-12)21-2/h3-9H,10H2,1-2H3
InChIKeyNCNYICVNZXVFFT-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 55579974
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide (CID 80960501) is N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccc(Br)cc2)ccc1F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide?
The InChIKey is NCNYICVNZXVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-19(10-11-3-6-13(17)7-4-11)16(20)12-5-8-14(18)15(9-12)21-2/h3-9H,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide?
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide has a molecular weight of 352.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 80960501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).