1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea

C17H19FN2O2 — CID 110893364

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-3-2-4-13(9-12)10-19-17(22)20-11-16(21)14-5-7-15(18)8-6-14/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyIGXWJNDYCDFTIF-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 110893364) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID110893364
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-3-2-4-13(9-12)10-19-17(22)20-11-16(21)14-5-7-15(18)8-6-14/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyIGXWJNDYCDFTIF-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
CID 86996508
N-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]phenyl]-2-methylbutanamide
CID 87005981
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110888958
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 86996503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea (CID 110893364) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)NCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is IGXWJNDYCDFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-3-2-4-13(9-12)10-19-17(22)20-11-16(21)14-5-7-15(18)8-6-14/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 302.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 110893364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).