1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea

C22H18ClN3O2 — CID 46380914

IUPAC1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-28-19-8-6-17(7-9-19)24-22(27)25-18-4-2-3-14(12-18)21-13-15-11-16(23)5-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyAJIGZOCFQLATHI-UHFFFAOYSA-N
MW391.86 g/mol
LogP6.14
Rot. Bonds4

About 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea

1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 46380914) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
PubChem CID46380914
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-28-19-8-6-17(7-9-19)24-22(27)25-18-4-2-3-14(12-18)21-13-15-11-16(23)5-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyAJIGZOCFQLATHI-UHFFFAOYSA-N
XLogP6.14
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 46334572
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
3-(5-chloro-1H-indol-2-yl)benzoyl chloride
CID 20556621
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea (CID 46380914) is 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1.
What is the InChIKey of 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is AJIGZOCFQLATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-28-19-8-6-17(7-9-19)24-22(27)25-18-4-2-3-14(12-18)21-13-15-11-16(23)5-10-20(15)26-21/h2-13,26H,1H3,(H2,24,25,27).
What are the key properties of 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea?
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 391.86 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 46380914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).