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

C16H13Cl2N3O — CID 10042481

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H13Cl2N3O/c17-12-5-4-10(8-13(12)18)9-20-16(22)21-15-3-1-2-14-11(15)6-7-19-14/h1-8,19H,9H2,(H2,20,21,22)
InChIKeyWUYBGAPOFSZNQC-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.80
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea (PubChem CID 10042481) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea
PubChem CID10042481
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH]ccc12
InChIInChI=1S/C16H13Cl2N3O/c17-12-5-4-10(8-13(12)18)9-20-16(22)21-15-3-1-2-14-11(15)6-7-19-14/h1-8,19H,9H2,(H2,20,21,22)
InChIKeyWUYBGAPOFSZNQC-UHFFFAOYSA-N
XLogP4.80
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea (CID 10042481) is 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea is O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2[nH]ccc12.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
The InChIKey is WUYBGAPOFSZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-5-4-10(8-13(12)18)9-20-16(22)21-15-3-1-2-14-11(15)6-7-19-14/h1-8,19H,9H2,(H2,20,21,22).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea?
1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea has a molecular weight of 334.21 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-4-yl)urea is sourced from PubChem (CID 10042481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).