N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide

C19H19ClFNO2 — CID 126677135

IUPACN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
SMILESCc1cc(O)c(-c2cc(CN(C)C(=O)C3CC3)ccc2F)cc1Cl
InChIInChI=1S/C19H19ClFNO2/c1-11-7-18(23)15(9-16(11)20)14-8-12(3-6-17(14)21)10-22(2)19(24)13-4-5-13/h3,6-9,13,23H,4-5,10H2,1-2H3
InChIKeyWQSKELBSNGEXSL-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.53
Rot. Bonds4

About N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide

N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide (PubChem CID 126677135) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
PubChem CID126677135
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC NameN-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide
SMILESCc1cc(O)c(-c2cc(CN(C)C(=O)C3CC3)ccc2F)cc1Cl
InChIInChI=1S/C19H19ClFNO2/c1-11-7-18(23)15(9-16(11)20)14-8-12(3-6-17(14)21)10-22(2)19(24)13-4-5-13/h3,6-9,13,23H,4-5,10H2,1-2H3
InChIKeyWQSKELBSNGEXSL-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide 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

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
CID 146136290
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 126676533
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-2-methoxyacetamide
CID 126677292
4-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512383
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide (CID 126677135) is N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide is Cc1cc(O)c(-c2cc(CN(C)C(=O)C3CC3)ccc2F)cc1Cl.
What is the InChIKey of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide?
The InChIKey is WQSKELBSNGEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-11-7-18(23)15(9-16(11)20)14-8-12(3-6-17(14)21)10-22(2)19(24)13-4-5-13/h3,6-9,13,23H,4-5,10H2,1-2H3.
What are the key properties of N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide?
N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-hydroxy-4-methylphenyl)-4-fluorophenyl]methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 126677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).