N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide

C22H23FN2O2 — CID 110312996

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c1-14(15-4-6-18(23)7-5-15)12-21(26)24-19-8-9-20-17(13-19)10-11-25(20)22(27)16-2-3-16/h4-9,13-14,16H,2-3,10-12H2,1H3,(H,24,26)
InChIKeyLXMPQNWBYWSWHF-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.26
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide (PubChem CID 110312996) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
PubChem CID110312996
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2/c1-14(15-4-6-18(23)7-5-15)12-21(26)24-19-8-9-20-17(13-19)10-11-25(20)22(27)16-2-3-16/h4-9,13-14,16H,2-3,10-12H2,1H3,(H,24,26)
InChIKeyLXMPQNWBYWSWHF-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110303950
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110623374
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
(3S)-N-(2-chloro-4-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708715
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide (CID 110312996) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide?
The InChIKey is LXMPQNWBYWSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14(15-4-6-18(23)7-5-15)12-21(26)24-19-8-9-20-17(13-19)10-11-25(20)22(27)16-2-3-16/h4-9,13-14,16H,2-3,10-12H2,1H3,(H,24,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide has a molecular weight of 366.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110312996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).