N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

C16H16FNO3 — CID 60628184

IUPACN-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccccc2F)c1O
InChIInChI=1S/C16H16FNO3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10H2,1-2H3
InChIKeyKAVCTXYIIKGGKV-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.81
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (PubChem CID 60628184) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
PubChem CID60628184
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccccc2F)c1O
InChIInChI=1S/C16H16FNO3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10H2,1-2H3
InChIKeyKAVCTXYIIKGGKV-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (CID 60628184) is N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2ccccc2F)c1O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The InChIKey is KAVCTXYIIKGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-18(10-11-6-3-4-8-13(11)17)16(20)12-7-5-9-14(21-2)15(12)19/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 60628184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).