N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide

C18H18FNO2 — CID 112835532

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C18H18FNO2/c1-12-3-2-4-15(16(12)21)17(22)20-11-18(9-10-18)13-5-7-14(19)8-6-13/h2-8,21H,9-11H2,1H3,(H,20,22)
InChIKeyOOWZJHBAXLPYEE-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.30
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 112835532) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
PubChem CID112835532
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C18H18FNO2/c1-12-3-2-4-15(16(12)21)17(22)20-11-18(9-10-18)13-5-7-14(19)8-6-13/h2-8,21H,9-11H2,1H3,(H,20,22)
InChIKeyOOWZJHBAXLPYEE-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide (CID 112835532) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c1O.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is OOWZJHBAXLPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-3-2-4-15(16(12)21)17(22)20-11-18(9-10-18)13-5-7-14(19)8-6-13/h2-8,21H,9-11H2,1H3,(H,20,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 299.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 112835532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).