1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea

C23H20ClN3O — CID 53054162

IUPAC1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
SMILESCCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20ClN3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)26-21)27-23(28)25-18-7-5-6-17(24)14-18/h3-14,26H,2H2,1H3,(H2,25,27,28)
InChIKeyPRGJNOCRQGFSND-UHFFFAOYSA-N
MW389.89 g/mol
LogP6.69
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea

1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea (PubChem CID 53054162) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
PubChem CID53054162
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
SMILESCCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20ClN3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)26-21)27-23(28)25-18-7-5-6-17(24)14-18/h3-14,26H,2H2,1H3,(H2,25,27,28)
InChIKeyPRGJNOCRQGFSND-UHFFFAOYSA-N
XLogP6.69
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-ethylphenyl)-1H-indol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 53054171
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
CID 53114196
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
CID 73055968
CID 73055968
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-phenylurea
CID 46386835
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
N-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea (CID 53054162) is 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea is CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea?
The InChIKey is PRGJNOCRQGFSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-2-15-10-12-16(13-11-15)21-22(19-8-3-4-9-20(19)26-21)27-23(28)25-18-7-5-6-17(24)14-18/h3-14,26H,2H2,1H3,(H2,25,27,28).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea?
1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea has a molecular weight of 389.89 g/mol, XLogP of 6.69, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea is sourced from PubChem (CID 53054162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).