1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea

C18H13Cl2FN2O2 — CID 142211345

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C18H13Cl2FN2O2/c1-9-2-3-10(21)6-16(9)22-18(25)23-17-13-7-11(24)4-5-12(13)14(19)8-15(17)20/h2-8,24H,1H3,(H2,22,23,25)
InChIKeyQQYXTQQYXMTCTA-UHFFFAOYSA-N
MW379.22 g/mol
LogP5.94
Rot. Bonds2

About 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 142211345) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea
PubChem CID142211345
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C18H13Cl2FN2O2/c1-9-2-3-10(21)6-16(9)22-18(25)23-17-13-7-11(24)4-5-12(13)14(19)8-15(17)20/h2-8,24H,1H3,(H2,22,23,25)
InChIKeyQQYXTQQYXMTCTA-UHFFFAOYSA-N
XLogP5.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.22
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(2,4,5-trifluorophenyl)urea
CID 90987709
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
CID 91115284
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
CID 91250846
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,5-dichlorophenyl)urea
CID 91474575
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea
CID 91210833
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 90753247
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea (CID 142211345) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea is Cc1ccc(F)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is QQYXTQQYXMTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-9-2-3-10(21)6-16(9)22-18(25)23-17-13-7-11(24)4-5-12(13)14(19)8-15(17)20/h2-8,24H,1H3,(H2,22,23,25).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 379.22 g/mol, XLogP of 5.94, 2 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-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 142211345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).