5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one

C17H16ClN3O — CID 155113869

IUPAC5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one
SMILESC=C(Nc1cc(C)cc(Cl)c1)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H16ClN3O/c1-10-5-13(18)9-15(6-10)20-11(2)19-14-3-4-16-12(7-14)8-17(22)21-16/h3-7,9,19-20H,2,8H2,1H3,(H,21,22)
InChIKeyZOJNLZONSZWJJQ-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.14
Rot. Bonds4

About 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one

5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one (PubChem CID 155113869) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one
PubChem CID155113869
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one
SMILESC=C(Nc1cc(C)cc(Cl)c1)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H16ClN3O/c1-10-5-13(18)9-15(6-10)20-11(2)19-14-3-4-16-12(7-14)8-17(22)21-16/h3-7,9,19-20H,2,8H2,1H3,(H,21,22)
InChIKeyZOJNLZONSZWJJQ-UHFFFAOYSA-N
XLogP4.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one
CID 155113907
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one (CID 155113869) is 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one is C=C(Nc1cc(C)cc(Cl)c1)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one?
The InChIKey is ZOJNLZONSZWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-10-5-13(18)9-15(6-10)20-11(2)19-14-3-4-16-12(7-14)8-17(22)21-16/h3-7,9,19-20H,2,8H2,1H3,(H,21,22).
What are the key properties of 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one?
5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one has a molecular weight of 313.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 155113869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).