N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide

C18H18FN3O2 — CID 167974029

IUPACN-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)N2CCc3cc(F)ccc32)c1
InChIInChI=1S/C18H18FN3O2/c19-15-4-5-16-13(11-15)7-9-22(16)18(24)21-8-6-12-2-1-3-14(10-12)17(20)23/h1-5,10-11H,6-9H2,(H2,20,23)(H,21,24)
InChIKeyLLXOOZZOWAFRAR-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide

N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 167974029) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide
PubChem CID167974029
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)N2CCc3cc(F)ccc32)c1
InChIInChI=1S/C18H18FN3O2/c19-15-4-5-16-13(11-15)7-9-22(16)18(24)21-8-6-12-2-1-3-14(10-12)17(20)23/h1-5,10-11H,6-9H2,(H2,20,23)(H,21,24)
InChIKeyLLXOOZZOWAFRAR-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
5-fluoro-N-(1H-indol-7-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 167942706
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide (CID 167974029) is N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide is NC(=O)c1cccc(CCNC(=O)N2CCc3cc(F)ccc32)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is LLXOOZZOWAFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-4-5-16-13(11-15)7-9-22(16)18(24)21-8-6-12-2-1-3-14(10-12)17(20)23/h1-5,10-11H,6-9H2,(H2,20,23)(H,21,24).
What are the key properties of N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)ethyl]-5-fluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167974029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).