N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide

C16H16FNO3 — CID 5216116

IUPACN-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-13-4-3-5-14(21-2)15(13)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySQUMELWSSIOCPS-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide

N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 5216116) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
PubChem CID5216116
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-13-4-3-5-14(21-2)15(13)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySQUMELWSSIOCPS-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167534674
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide (CID 5216116) is N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is SQUMELWSSIOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-13-4-3-5-14(21-2)15(13)16(19)18-10-11-6-8-12(17)9-7-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 5216116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).