1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea

C17H19FN2O2 — CID 86988690

IUPAC1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
SMILESCOCc1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-5-3-7-15(18)9-13)17(21)19-16-8-4-6-14(10-16)12-22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyLVIACMWYUDPGJA-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.64
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea

1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea (PubChem CID 86988690) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
PubChem CID86988690
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
SMILESCOCc1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-5-3-7-15(18)9-13)17(21)19-16-8-4-6-14(10-16)12-22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyLVIACMWYUDPGJA-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea 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-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78875031
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-nitrophenyl)urea
CID 86976512
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 86988801

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea (CID 86988690) is 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea is COCc1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea?
The InChIKey is LVIACMWYUDPGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(11-13-5-3-7-15(18)9-13)17(21)19-16-8-4-6-14(10-16)12-22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea?
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea has a molecular weight of 302.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea is sourced from PubChem (CID 86988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).