1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

C24H22Cl2N2O2 — CID 59731025

IUPAC1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(-c2cc(Cl)ccc2Cl)cc1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H22Cl2N2O2/c25-18-9-11-22(26)20(12-18)17-6-4-15(5-7-17)14-27-24(30)28-23-3-1-2-16-8-10-19(29)13-21(16)23/h1-7,9,11-12,19,29H,8,10,13-14H2,(H2,27,28,30)
InChIKeyMTVOGYRSBDAOEA-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.83
Rot. Bonds4

About 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 59731025) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID59731025
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(-c2cc(Cl)ccc2Cl)cc1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C24H22Cl2N2O2/c25-18-9-11-22(26)20(12-18)17-6-4-15(5-7-17)14-27-24(30)28-23-3-1-2-16-8-10-19(29)13-21(16)23/h1-7,9,11-12,19,29H,8,10,13-14H2,(H2,27,28,30)
InChIKeyMTVOGYRSBDAOEA-UHFFFAOYSA-N
XLogP5.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 124636229
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-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-(3-nitrophenyl)phenyl]methyl]urea
CID 59731017
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-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]urea
CID 10433743
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
1-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 10367070
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(4-methoxyphenyl)phenyl]urea
CID 59730985
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253
8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 25270194

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 59731025) is 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(NCc1ccc(-c2cc(Cl)ccc2Cl)cc1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is MTVOGYRSBDAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c25-18-9-11-22(26)20(12-18)17-6-4-15(5-7-17)14-27-24(30)28-23-3-1-2-16-8-10-19(29)13-21(16)23/h1-7,9,11-12,19,29H,8,10,13-14H2,(H2,27,28,30).
What are the key properties of 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 441.36 g/mol, XLogP of 5.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,5-dichlorophenyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 59731025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).