1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea

C16H14ClN3O — CID 24768220

IUPAC1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H14ClN3O/c17-12-6-4-11(5-7-12)10-19-16(21)20-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10H2,(H2,19,20,21)
InChIKeyAKHNJSZMZZGWBV-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.14
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea

1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea (PubChem CID 24768220) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea
PubChem CID24768220
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H14ClN3O/c17-12-6-4-11(5-7-12)10-19-16(21)20-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10H2,(H2,19,20,21)
InChIKeyAKHNJSZMZZGWBV-UHFFFAOYSA-N
XLogP4.14
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea (CID 24768220) is 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea is O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The InChIKey is AKHNJSZMZZGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-12-6-4-11(5-7-12)10-19-16(21)20-15-3-1-2-14-13(15)8-9-18-14/h1-9,18H,10H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea has a molecular weight of 299.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1H-indol-4-yl)urea is sourced from PubChem (CID 24768220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).