1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

C18H19FN2O2 — CID 124636229

IUPAC1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc2c1C[C@@H](O)CC2
InChIInChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)11-20-18(23)21-17-3-1-2-13-6-9-15(22)10-16(13)17/h1-5,7-8,15,22H,6,9-11H2,(H2,20,21,23)/t15-/m0/s1
InChIKeyXQRPDIRECWEWGT-HNNXBMFYSA-N
MW314.36 g/mol
LogP3.00
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (PubChem CID 124636229) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
PubChem CID124636229
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc2c1C[C@@H](O)CC2
InChIInChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)11-20-18(23)21-17-3-1-2-13-6-9-15(22)10-16(13)17/h1-5,7-8,15,22H,6,9-11H2,(H2,20,21,23)/t15-/m0/s1
InChIKeyXQRPDIRECWEWGT-HNNXBMFYSA-N
XLogP3.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 59666305
1-[[3-(2,6-difluorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731004
1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 59731025
ethane;1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 143038403
1-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[[3-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]urea
CID 10477981
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-(3-nitrophenyl)phenyl]methyl]urea
CID 59731017
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
CID 10433743
N-[(4-fluorophenyl)methyl]-2-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]amino]acetamide
CID 95973247
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 25264908
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253
1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 10367070

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (CID 124636229) is 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is O=C(NCc1ccc(F)cc1)Nc1cccc2c1C[C@@H](O)CC2.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The InChIKey is XQRPDIRECWEWGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-14-7-4-12(5-8-14)11-20-18(23)21-17-3-1-2-13-6-9-15(22)10-16(13)17/h1-5,7-8,15,22H,6,9-11H2,(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea has a molecular weight of 314.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 124636229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).