N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

C15H16FN3O2 — CID 110625091

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C15H16FN3O2/c1-8-14(11-6-9(16)2-5-12(11)18-8)15(21)17-7-13(20)19-10-3-4-10/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyXEVIQNAQDZHHKP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110625091) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110625091
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C15H16FN3O2/c1-8-14(11-6-9(16)2-5-12(11)18-8)15(21)17-7-13(20)19-10-3-4-10/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,21)(H,19,20)
InChIKeyXEVIQNAQDZHHKP-UHFFFAOYSA-N
XLogP1.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625213
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
5-fluoro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110621734
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583025
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110625091) is N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is XEVIQNAQDZHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-8-14(11-6-9(16)2-5-12(11)18-8)15(21)17-7-13(20)19-10-3-4-10/h2,5-6,10,18H,3-4,7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110625091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).