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

C19H21FN2O — CID 113214301

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-14-2-4-15(5-3-14)12-21-18(23)22-13-19(10-11-19)16-6-8-17(20)9-7-16/h2-9H,10-13H2,1H3,(H2,21,22,23)
InChIKeyKWVGIPFCPPMAHR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.67
Rot. Bonds5

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

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 113214301) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID113214301
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-14-2-4-15(5-3-14)12-21-18(23)22-13-19(10-11-19)16-6-8-17(20)9-7-16/h2-9H,10-13H2,1H3,(H2,21,22,23)
InChIKeyKWVGIPFCPPMAHR-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-pentylurea
CID 78885818
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea (CID 113214301) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCC2(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KWVGIPFCPPMAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-2-4-15(5-3-14)12-21-18(23)22-13-19(10-11-19)16-6-8-17(20)9-7-16/h2-9H,10-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 312.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 113214301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).