1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C17H17ClN2O — CID 841694

IUPAC1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O/c18-14-9-3-4-10-16(14)20-17(21)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15H,5,7,11H2,(H2,19,20,21)/t15-/m0/s1
InChIKeyKRANHGYMKVJEBT-HNNXBMFYSA-N
MW300.79 g/mol
LogP4.54
Rot. Bonds2

About 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 841694) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID841694
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O/c18-14-9-3-4-10-16(14)20-17(21)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15H,5,7,11H2,(H2,19,20,21)/t15-/m0/s1
InChIKeyKRANHGYMKVJEBT-HNNXBMFYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-phenylphenyl)urea
CID 3847890

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 841694) is 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(Nc1ccccc1Cl)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is KRANHGYMKVJEBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-9-3-4-10-16(14)20-17(21)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15H,5,7,11H2,(H2,19,20,21)/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 300.79 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 841694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).