N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide

C22H24FN3O2 — CID 86874773

IUPACN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(F)ccc3C)ccc21
InChIInChI=1S/C22H24FN3O2/c1-4-25(5-2)21(27)14-26-11-10-16-12-18(8-9-20(16)26)24-22(28)19-13-17(23)7-6-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,24,28)
InChIKeyWQEMPCBQCBGZRT-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.21
Rot. Bonds6

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide (PubChem CID 86874773) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
PubChem CID86874773
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(F)ccc3C)ccc21
InChIInChI=1S/C22H24FN3O2/c1-4-25(5-2)21(27)14-26-11-10-16-12-18(8-9-20(16)26)24-22(28)19-13-17(23)7-6-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,24,28)
InChIKeyWQEMPCBQCBGZRT-UHFFFAOYSA-N
XLogP4.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide (CID 86874773) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(F)ccc3C)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is WQEMPCBQCBGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-4-25(5-2)21(27)14-26-11-10-16-12-18(8-9-20(16)26)24-22(28)19-13-17(23)7-6-15(19)3/h6-13H,4-5,14H2,1-3H3,(H,24,28).
What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide?
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 381.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 86874773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).