1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

C19H18ClNO — CID 164979572

IUPAC1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3cc(C)ccc3Cl)ccc2N1
InChIInChI=1S/C19H18ClNO/c1-12-3-5-18(20)15(7-12)11-17(22)10-14-4-6-19-16(9-14)8-13(2)21-19/h3-7,9,21H,2,8,10-11H2,1H3
InChIKeyCQFJAWFDEMWWRA-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (PubChem CID 164979572) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
PubChem CID164979572
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3cc(C)ccc3Cl)ccc2N1
InChIInChI=1S/C19H18ClNO/c1-12-3-5-18(20)15(7-12)11-17(22)10-14-4-6-19-16(9-14)8-13(2)21-19/h3-7,9,21H,2,8,10-11H2,1H3
InChIKeyCQFJAWFDEMWWRA-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
CID 165044970
1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
CID 164998816
1-(2-methylidene-1,3-dihydroindol-5-yl)-3-(4-nitrophenyl)propan-2-one
CID 164967894
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
N-methyl-1-(2-methylidene-1,3-dihydroindol-5-yl)methanamine
CID 161203185
1-(2-chloro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267145
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
CID 164994429
1-(2-chloro-5-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 102622334
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
1-(2-methylidene-1,3-dihydroindol-5-yl)-3-[[2-(trifluoromethyl)phenyl]diazenyl]pentane-2,4-dione
CID 162251699
1-(3-chloro-4-methylphenyl)pentan-2-one
CID 159318556

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (CID 164979572) is 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is C=C1Cc2cc(CC(=O)Cc3cc(C)ccc3Cl)ccc2N1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The InChIKey is CQFJAWFDEMWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-12-3-5-18(20)15(7-12)11-17(22)10-14-4-6-19-16(9-14)8-13(2)21-19/h3-7,9,21H,2,8,10-11H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one has a molecular weight of 311.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is sourced from PubChem (CID 164979572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).