N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H23FN2O2 — CID 167782754

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21
InChIInChI=1S/C22H23FN2O2/c1-2-21(26)24-12-11-16-13-17(5-10-20(16)24)22(27)25(19-8-9-19)14-15-3-6-18(23)7-4-15/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3
InChIKeyQTMKGOASBHYHOR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.93
Rot. Bonds5

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 167782754) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID167782754
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21
InChIInChI=1S/C22H23FN2O2/c1-2-21(26)24-12-11-16-13-17(5-10-20(16)24)22(27)25(19-8-9-19)14-15-3-6-18(23)7-4-15/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3
InChIKeyQTMKGOASBHYHOR-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18206397
1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 55981657
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787446
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 34577851
1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 110023370
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 167782754) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is QTMKGOASBHYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-2-21(26)24-12-11-16-13-17(5-10-20(16)24)22(27)25(19-8-9-19)14-15-3-6-18(23)7-4-15/h3-7,10,13,19H,2,8-9,11-12,14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 167782754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).