1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea

C18H18Cl2N2O2 — CID 97107626

IUPAC1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-6-5-14(9-16(15)20)22-17(23)21-11-18(24)8-7-12-3-1-2-4-13(12)10-18/h1-6,9,24H,7-8,10-11H2,(H2,21,22,23)/t18-/m0/s1
InChIKeySNZFLAZZBYOBIW-SFHVURJKSA-N
MW365.26 g/mol
LogP4.03
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea

1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea (PubChem CID 97107626) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
PubChem CID97107626
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-6-5-14(9-16(15)20)22-17(23)21-11-18(24)8-7-12-3-1-2-4-13(12)10-18/h1-6,9,24H,7-8,10-11H2,(H2,21,22,23)/t18-/m0/s1
InChIKeySNZFLAZZBYOBIW-SFHVURJKSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea (CID 97107626) is 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea is O=C(NC[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea?
The InChIKey is SNZFLAZZBYOBIW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-15-6-5-14(9-16(15)20)22-17(23)21-11-18(24)8-7-12-3-1-2-4-13(12)10-18/h1-6,9,24H,7-8,10-11H2,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea has a molecular weight of 365.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea is sourced from PubChem (CID 97107626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).