2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide

C14H18FN3O2 — CID 62662588

IUPAC2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H18FN3O2/c1-2-16-12-9(5-3-6-10(12)15)13(19)18-11-7-4-8-17-14(11)20/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyVUDHHEBOAXWSAG-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.27
Rot. Bonds4

About 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide

2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 62662588) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID62662588
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H18FN3O2/c1-2-16-12-9(5-3-6-10(12)15)13(19)18-11-7-4-8-17-14(11)20/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyVUDHHEBOAXWSAG-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
3-fluoro-2-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 81498086
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide (CID 62662588) is 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide is CCNc1c(F)cccc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is VUDHHEBOAXWSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-2-16-12-9(5-3-6-10(12)15)13(19)18-11-7-4-8-17-14(11)20/h3,5-6,11,16H,2,4,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62662588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).