5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide

C17H25FN4O2 — CID 95626206

IUPAC5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C17H25FN4O2/c1-2-13-5-3-4-9-22(13)10-8-20-17(24)21-12-6-7-15(18)14(11-12)16(19)23/h6-7,11,13H,2-5,8-10H2,1H3,(H2,19,23)(H2,20,21,24)/t13-/m1/s1
InChIKeyBLYXITCNWQKXEJ-CYBMUJFWSA-N
MW336.41 g/mol
LogP2.31
Rot. Bonds6

About 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide

5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide (PubChem CID 95626206) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide
PubChem CID95626206
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C17H25FN4O2/c1-2-13-5-3-4-9-22(13)10-8-20-17(24)21-12-6-7-15(18)14(11-12)16(19)23/h6-7,11,13H,2-5,8-10H2,1H3,(H2,19,23)(H2,20,21,24)/t13-/m1/s1
InChIKeyBLYXITCNWQKXEJ-CYBMUJFWSA-N
XLogP2.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
1-[4-(cyanomethyl)phenyl]-3-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]urea
CID 95626204
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
1-(4-fluoro-3-methoxyphenyl)-3-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]urea
CID 97455332
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
1-(3,4-dimethylphenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100685707
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
2-[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 125171086
1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
CID 76939353
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide (CID 95626206) is 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide is CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide?
The InChIKey is BLYXITCNWQKXEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-2-13-5-3-4-9-22(13)10-8-20-17(24)21-12-6-7-15(18)14(11-12)16(19)23/h6-7,11,13H,2-5,8-10H2,1H3,(H2,19,23)(H2,20,21,24)/t13-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide?
5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide has a molecular weight of 336.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide is sourced from PubChem (CID 95626206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).