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

C19H16Cl2N2O2 — CID 91115284

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1C
InChIInChI=1S/C19H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)22-19(25)23-18-15-8-13(24)5-6-14(15)16(20)9-17(18)21/h3-9,24H,1-2H3,(H2,22,23,25)
InChIKeyHRCBCIWSABVLNQ-UHFFFAOYSA-N
MW375.26 g/mol
LogP6.11
Rot. Bonds2

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

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea (PubChem CID 91115284) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
PubChem CID91115284
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1C
InChIInChI=1S/C19H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)22-19(25)23-18-15-8-13(24)5-6-14(15)16(20)9-17(18)21/h3-9,24H,1-2H3,(H2,22,23,25)
InChIKeyHRCBCIWSABVLNQ-UHFFFAOYSA-N
XLogP6.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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-dichloro-7-hydroxynaphthalen-1-yl)-3-(5-fluoro-2-methylphenyl)urea
CID 142211345
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-(2,4,5-trifluorophenyl)urea
CID 90987709
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 90753247
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea (CID 91115284) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1C.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is HRCBCIWSABVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)22-19(25)23-18-15-8-13(24)5-6-14(15)16(20)9-17(18)21/h3-9,24H,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 375.26 g/mol, XLogP of 6.11, 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-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 91115284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).