1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea

C17H16ClN3O2 — CID 164995558

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
SMILESC=C1Cc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11-8-13(4-5-14(11)19-10)20-17(22)21-15-9-12(18)3-6-16(15)23-2/h3-6,8-9,19H,1,7H2,2H3,(H2,20,21,22)
InChIKeyRDMSCVFZXPAIBW-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.47
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea (PubChem CID 164995558) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
PubChem CID164995558
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
SMILESC=C1Cc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11-8-13(4-5-14(11)19-10)20-17(22)21-15-9-12(18)3-6-16(15)23-2/h3-6,8-9,19H,1,7H2,2H3,(H2,20,21,22)
InChIKeyRDMSCVFZXPAIBW-UHFFFAOYSA-N
XLogP4.47
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 165032676
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164953050
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
1-(5-chloro-2-methoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 56765018
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea (CID 164995558) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea is C=C1Cc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2N1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The InChIKey is RDMSCVFZXPAIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-7-11-8-13(4-5-14(11)19-10)20-17(22)21-15-9-12(18)3-6-16(15)23-2/h3-6,8-9,19H,1,7H2,2H3,(H2,20,21,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea has a molecular weight of 329.79 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 164995558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).