1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea

C19H16Cl2N2O2 — CID 90753247

IUPAC1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-11-2-4-12(5-3-11)10-22-19(25)23-18-15-8-13(24)6-7-14(15)16(20)9-17(18)21/h2-9,24H,10H2,1H3,(H2,22,23,25)
InChIKeyFKBJAGDFYCAZJJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.48
Rot. Bonds3

About 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 90753247) 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-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
PubChem CID90753247
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-11-2-4-12(5-3-11)10-22-19(25)23-18-15-8-13(24)6-7-14(15)16(20)9-17(18)21/h2-9,24H,10H2,1H3,(H2,22,23,25)
InChIKeyFKBJAGDFYCAZJJ-UHFFFAOYSA-N
XLogP5.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(3,4-dimethylphenyl)urea
CID 91115284
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891207
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 130274641
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea (CID 90753247) is 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2c(Cl)cc(Cl)c3ccc(O)cc23)cc1.
What is the InChIKey of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is FKBJAGDFYCAZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-11-2-4-12(5-3-11)10-22-19(25)23-18-15-8-13(24)6-7-14(15)16(20)9-17(18)21/h2-9,24H,10H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea?
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 375.26 g/mol, XLogP of 5.48, 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-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 90753247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).