1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea

C21H19FN2O3 — CID 129012477

IUPAC1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C21H19FN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)
InChIKeyFMVSLOREDAVXCX-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea

1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea (PubChem CID 129012477) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
PubChem CID129012477
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1cc(CN(C(=O)Nc2ccccc2)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C21H19FN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)
InChIKeyFMVSLOREDAVXCX-UHFFFAOYSA-N
XLogP4.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea 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-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 129012475
4-[(N-benzylanilino)methyl]-2-methoxyphenol
CID 174576798
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
3-(4-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)urea
CID 42706350
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
CID 88959300
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
(N-benzyl-4-hydroxy-3-methoxyanilino) acetate
CID 87717375
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133497372

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea (CID 129012477) is 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea is COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(F)cc2)ccc1O.
What is the InChIKey of 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea?
The InChIKey is FMVSLOREDAVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea?
1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea has a molecular weight of 366.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 129012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).