N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

C14H18FNO3 — CID 115183989

IUPACN-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CO)CCC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-16(13(18)14(9-17)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyRJSCJNFMNOOQBU-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.96
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115183989) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115183989
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CO)CCC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-16(13(18)14(9-17)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyRJSCJNFMNOOQBU-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide 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

1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
N-(2,4-difluorophenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184003
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
CID 115184634
1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 115183979
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (CID 115183989) is N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is COc1ccc(N(C)C(=O)C2(CO)CCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is RJSCJNFMNOOQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16(13(18)14(9-17)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).