1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea

C17H16ClFN2O — CID 113216996

IUPAC1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H16ClFN2O/c18-14-11-13(7-8-15(14)19)20-16(22)21-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H2,20,21,22)
InChIKeyAYDDDBWMACTQFH-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.68
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea

1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea (PubChem CID 113216996) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
PubChem CID113216996
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H16ClFN2O/c18-14-11-13(7-8-15(14)19)20-16(22)21-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H2,20,21,22)
InChIKeyAYDDDBWMACTQFH-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
CID 113215154
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
CID 47994300
1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
CID 56556972
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea (CID 113216996) is 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea is O=C(Nc1ccc(F)c(Cl)c1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea?
The InChIKey is AYDDDBWMACTQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-11-13(7-8-15(14)19)20-16(22)21-17(9-4-10-17)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea has a molecular weight of 318.78 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 113216996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).