2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide

C18H20FNO3 — CID 167959226

IUPAC2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C(C)C)ccc2F)c1O
InChIInChI=1S/C18H20FNO3/c1-11(2)12-7-8-15(19)14(9-12)18(22)20-10-13-5-4-6-16(23-3)17(13)21/h4-9,11,21H,10H2,1-3H3,(H,20,22)
InChIKeyANXJZHGCXVUOMU-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.59
Rot. Bonds5

About 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide

2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide (PubChem CID 167959226) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide
PubChem CID167959226
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C(C)C)ccc2F)c1O
InChIInChI=1S/C18H20FNO3/c1-11(2)12-7-8-15(19)14(9-12)18(22)20-10-13-5-4-6-16(23-3)17(13)21/h4-9,11,21H,10H2,1-3H3,(H,20,22)
InChIKeyANXJZHGCXVUOMU-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 155884619
N-[2-fluoro-5-[(2-hydroxy-3-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 56801848
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide (CID 167959226) is 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide is COc1cccc(CNC(=O)c2cc(C(C)C)ccc2F)c1O.
What is the InChIKey of 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide?
The InChIKey is ANXJZHGCXVUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-11(2)12-7-8-15(19)14(9-12)18(22)20-10-13-5-4-6-16(23-3)17(13)21/h4-9,11,21H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide?
2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-hydroxy-3-methoxyphenyl)methyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 167959226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).