1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea

C20H19ClN2O2 — CID 90497488

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19ClN2O2/c21-16-10-8-14(9-11-16)12-22-20(25)23-13-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19,24H,12-13H2,(H2,22,23,25)
InChIKeyVVYAKIFSNCZKPY-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.03
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea

1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea (PubChem CID 90497488) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
PubChem CID90497488
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19ClN2O2/c21-16-10-8-14(9-11-16)12-22-20(25)23-13-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19,24H,12-13H2,(H2,22,23,25)
InChIKeyVVYAKIFSNCZKPY-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(4-cyanophenyl)methyl]urea
CID 111450482
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
CID 19963470
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea (CID 90497488) is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea is O=C(NCc1ccc(Cl)cc1)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
The InChIKey is VVYAKIFSNCZKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-16-10-8-14(9-11-16)12-22-20(25)23-13-19(24)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,19,24H,12-13H2,(H2,22,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea has a molecular weight of 354.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 90497488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).