1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C18H18F4N4O — CID 71590342

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N4O/c19-15-6-5-13(10-14(15)18(20,21)22)26-17(27)24-9-7-12-4-3-11-2-1-8-23-16(11)25-12/h3-6,10H,1-2,7-9H2,(H,23,25)(H2,24,26,27)
InChIKeyWIBMUUISUKGKPY-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590342) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID71590342
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N4O/c19-15-6-5-13(10-14(15)18(20,21)22)26-17(27)24-9-7-12-4-3-11-2-1-8-23-16(11)25-12/h3-6,10H,1-2,7-9H2,(H,23,25)(H2,24,26,27)
InChIKeyWIBMUUISUKGKPY-UHFFFAOYSA-N
XLogP3.96
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
CID 71506872
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-{2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1,2,3,4-tetrahydroquinolin-1-yl]ethyl}acetamide
CID 23628222
[5-(2,3-Dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]urea
CID 155524694
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2,2-difluoroacetamide
CID 155528077
1-[5-(2,3-Dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-3-methylurea
CID 155533062
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]propanamide
CID 155545184
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide
CID 155554003
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162664133
1-(1-Methyl-2-oxoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162667011
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162668548

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590342) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is WIBMUUISUKGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/c19-15-6-5-13(10-14(15)18(20,21)22)26-17(27)24-9-7-12-4-3-11-2-1-8-23-16(11)25-12/h3-6,10H,1-2,7-9H2,(H,23,25)(H2,24,26,27).
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 382.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).