2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H17ClF2N2O2 — CID 9103280

IUPAC2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c1-11-8-12-4-2-3-5-15(12)23(11)17(24)10-22-13-6-7-16(14(19)9-13)25-18(20)21/h2-7,9,11,18,22H,8,10H2,1H3/t11-/m0/s1
InChIKeyAACNHTUVYAHQDW-NSHDSACASA-N
MW366.80 g/mol
LogP4.33
Rot. Bonds5

About 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9103280) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9103280
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c1-11-8-12-4-2-3-5-15(12)23(11)17(24)10-22-13-6-7-16(14(19)9-13)25-18(20)21/h2-7,9,11,18,22H,8,10H2,1H3/t11-/m0/s1
InChIKeyAACNHTUVYAHQDW-NSHDSACASA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)anilino]-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 34067089
methyl 3-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 109010122
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
N-methyl-2-[4-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 37224123
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]propanamide
CID 42927855
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4884596
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8598292
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
2-[1-(3-chlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112796829

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9103280) is 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AACNHTUVYAHQDW-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-11-8-12-4-2-3-5-15(12)23(11)17(24)10-22-13-6-7-16(14(19)9-13)25-18(20)21/h2-7,9,11,18,22H,8,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 366.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethoxy)anilino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9103280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).