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

C19H15Cl3N2O3 — CID 91250846

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C19H15Cl3N2O3/c1-9-5-16(17(27-2)8-13(9)20)23-19(26)24-18-12-6-10(25)3-4-11(12)14(21)7-15(18)22/h3-8,25H,1-2H3,(H2,23,24,26)
InChIKeyBSILNUAAVUDSBE-UHFFFAOYSA-N
MW425.70 g/mol
LogP6.47
Rot. Bonds3

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

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea (PubChem CID 91250846) has the molecular formula C19H15Cl3N2O3 and a molecular weight of 425.70 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
PubChem CID91250846
Molecular FormulaC19H15Cl3N2O3
Molecular Weight425.70 g/mol
Exact Mass424.01
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12
InChIInChI=1S/C19H15Cl3N2O3/c1-9-5-16(17(27-2)8-13(9)20)23-19(26)24-18-12-6-10(25)3-4-11(12)14(21)7-15(18)22/h3-8,25H,1-2H3,(H2,23,24,26)
InChIKeyBSILNUAAVUDSBE-UHFFFAOYSA-N
XLogP6.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
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CID 108991794
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992500
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea (CID 91250846) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea is COc1cc(Cl)c(C)cc1NC(=O)Nc1c(Cl)cc(Cl)c2ccc(O)cc12.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea?
The InChIKey is BSILNUAAVUDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3/c1-9-5-16(17(27-2)8-13(9)20)23-19(26)24-18-12-6-10(25)3-4-11(12)14(21)7-15(18)22/h3-8,25H,1-2H3,(H2,23,24,26).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea has a molecular weight of 425.70 g/mol, XLogP of 6.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,4-dichloro-7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 91250846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).