1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea

C19H16Cl2N2O2 — CID 10474580

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H16Cl2N2O2/c20-16-7-4-12(10-17(16)21)8-9-22-19(25)23-18-3-1-2-13-5-6-14(24)11-15(13)18/h1-7,10-11,24H,8-9H2,(H2,22,23,25)
InChIKeyFMNOTFXDWPTZQN-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea

1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 10474580) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID10474580
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H16Cl2N2O2/c20-16-7-4-12(10-17(16)21)8-9-22-19(25)23-18-3-1-2-13-5-6-14(24)11-15(13)18/h1-7,10-11,24H,8-9H2,(H2,22,23,25)
InChIKeyFMNOTFXDWPTZQN-UHFFFAOYSA-N
XLogP5.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea (CID 10474580) is 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea is O=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is FMNOTFXDWPTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-16-7-4-12(10-17(16)21)8-9-22-19(25)23-18-3-1-2-13-5-6-14(24)11-15(13)18/h1-7,10-11,24H,8-9H2,(H2,22,23,25).
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea?
1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 375.26 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 10474580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).