1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C20H23FN2O — CID 108866819

IUPAC1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23FN2O/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)22-20(24)23-19-10-6-5-9-17(19)21/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,22,23,24)
InChIKeyBVJRWYVGDNGZRT-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.98
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 108866819) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
PubChem CID108866819
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23FN2O/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)22-20(24)23-19-10-6-5-9-17(19)21/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,22,23,24)
InChIKeyBVJRWYVGDNGZRT-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191590
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510820
N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108893816
1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108812939
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 108866819) is 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CCC(NC(=O)Nc1ccccc1F)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The InChIKey is BVJRWYVGDNGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)22-20(24)23-19-10-6-5-9-17(19)21/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 326.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 108866819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).