N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide

C17H18FNO3 — CID 146316512

IUPACN-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)NCc2ccccc2F)c(O)cc1O
InChIInChI=1S/C17H18FNO3/c1-10(2)12-7-13(16(21)8-15(12)20)17(22)19-9-11-5-3-4-6-14(11)18/h3-8,10,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyAPMKRSYXKMHKMU-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide

N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide (PubChem CID 146316512) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
PubChem CID146316512
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1cc(C(=O)NCc2ccccc2F)c(O)cc1O
InChIInChI=1S/C17H18FNO3/c1-10(2)12-7-13(16(21)8-15(12)20)17(22)19-9-11-5-3-4-6-14(11)18/h3-8,10,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyAPMKRSYXKMHKMU-UHFFFAOYSA-N
XLogP3.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide (CID 146316512) is N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide is CC(C)c1cc(C(=O)NCc2ccccc2F)c(O)cc1O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide?
The InChIKey is APMKRSYXKMHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-10(2)12-7-13(16(21)8-15(12)20)17(22)19-9-11-5-3-4-6-14(11)18/h3-8,10,20-21H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide?
N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,4-dihydroxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).