3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

C18H21FN2O3 — CID 110906161

IUPAC3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCOc1ccc(CNc2cccc(C(=O)NCCO)c2C)cc1F
InChIInChI=1S/C18H21FN2O3/c1-12-14(18(23)20-8-9-22)4-3-5-16(12)21-11-13-6-7-17(24-2)15(19)10-13/h3-7,10,21-22H,8-9,11H2,1-2H3,(H,20,23)
InChIKeyQIEAUWVTMOSCIW-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.48
Rot. Bonds7

About 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 110906161) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID110906161
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCOc1ccc(CNc2cccc(C(=O)NCCO)c2C)cc1F
InChIInChI=1S/C18H21FN2O3/c1-12-14(18(23)20-8-9-22)4-3-5-16(12)21-11-13-6-7-17(24-2)15(19)10-13/h3-7,10,21-22H,8-9,11H2,1-2H3,(H,20,23)
InChIKeyQIEAUWVTMOSCIW-UHFFFAOYSA-N
XLogP2.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide 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

3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-2-methylbenzoate
CID 63644529
N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
CID 110018799
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 110906161) is 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is COc1ccc(CNc2cccc(C(=O)NCCO)c2C)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is QIEAUWVTMOSCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12-14(18(23)20-8-9-22)4-3-5-16(12)21-11-13-6-7-17(24-2)15(19)10-13/h3-7,10,21-22H,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 332.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 110906161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).