1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea

C16H11ClN2O3 — CID 23139454

IUPAC1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C16H11ClN2O3/c17-10-1-3-11(4-2-10)18-16(21)19-12-5-6-15-13(9-12)14(20)7-8-22-15/h1-9H,(H2,18,19,21)
InChIKeyWISVLACLBQKGJS-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea

1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea (PubChem CID 23139454) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea
PubChem CID23139454
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C16H11ClN2O3/c17-10-1-3-11(4-2-10)18-16(21)19-12-5-6-15-13(9-12)14(20)7-8-22-15/h1-9H,(H2,18,19,21)
InChIKeyWISVLACLBQKGJS-UHFFFAOYSA-N
XLogP4.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chlorochromen-4-one;ethane
CID 174636561
4-methoxy-N-(4-oxochromen-6-yl)benzamide
CID 22371111
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CID 75491707
CID 123176042
CID 123176042
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
4-oxochromene-6-carboxylate
CID 86688023
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
CID 168583307
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
potassium trifluoro-(4-oxochromen-6-yl)boranuide
CID 135072845

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea (CID 23139454) is 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc2occc(=O)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea?
The InChIKey is WISVLACLBQKGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-1-3-11(4-2-10)18-16(21)19-12-5-6-15-13(9-12)14(20)7-8-22-15/h1-9H,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea?
1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea has a molecular weight of 314.73 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-oxochromen-6-yl)urea is sourced from PubChem (CID 23139454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).