1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea

C16H14ClN3O — CID 40519573

IUPAC1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
SMILESCn1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-10-14(13-7-2-3-8-15(13)20)19-16(21)18-12-6-4-5-11(17)9-12/h2-10H,1H3,(H2,18,19,21)
InChIKeyFVTSXXRLSINGHQ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.48
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea

1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea (PubChem CID 40519573) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
PubChem CID40519573
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
SMILESCn1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-10-14(13-7-2-3-8-15(13)20)19-16(21)18-12-6-4-5-11(17)9-12/h2-10H,1H3,(H2,18,19,21)
InChIKeyFVTSXXRLSINGHQ-UHFFFAOYSA-N
XLogP4.48
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 110537286
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
N-(3-chlorophenyl)-3-(1-methylindol-3-yl)-4-phenylbutanamide
CID 73333376
N-(3-chlorophenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 53206556
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 91286178
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea (CID 40519573) is 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea is Cn1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea?
The InChIKey is FVTSXXRLSINGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-10-14(13-7-2-3-8-15(13)20)19-16(21)18-12-6-4-5-11(17)9-12/h2-10H,1H3,(H2,18,19,21).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea?
1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea has a molecular weight of 299.76 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea is sourced from PubChem (CID 40519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).