1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

C22H20Cl2N2O2 — CID 142211410

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESO=C(NCC1CCCc2ccccc21)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C22H20Cl2N2O2/c23-19-11-20(24)21(18-10-15(27)8-9-17(18)19)26-22(28)25-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7-11,14,27H,3,5-6,12H2,(H2,25,26,28)
InChIKeyQKDWNVVGRJVQNN-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.09
Rot. Bonds3

About 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (PubChem CID 142211410) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
PubChem CID142211410
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
SMILESO=C(NCC1CCCc2ccccc21)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C22H20Cl2N2O2/c23-19-11-20(24)21(18-10-15(27)8-9-17(18)19)26-22(28)25-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7-11,14,27H,3,5-6,12H2,(H2,25,26,28)
InChIKeyQKDWNVVGRJVQNN-UHFFFAOYSA-N
XLogP6.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea with MolForge

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 166321692
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
CID 86994987
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
1-[(4-methoxyoxan-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 126791507
1-[3-(oxan-4-yloxy)propyl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 96518413
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea (CID 142211410) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is O=C(NCC1CCCc2ccccc21)Nc1c(Cl)cc(Cl)c2ccc(O)cc12.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
The InChIKey is QKDWNVVGRJVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-19-11-20(24)21(18-10-15(27)8-9-17(18)19)26-22(28)25-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-2,4,7-11,14,27H,3,5-6,12H2,(H2,25,26,28).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea has a molecular weight of 415.32 g/mol, XLogP of 6.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea is sourced from PubChem (CID 142211410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).