N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide

C14H17FN2O2 — CID 40789873

IUPACN-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17FN2O2/c1-9(10-2-3-10)17-13(18)8-16-14(19)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyZZRQMZHNIBLVNL-VIFPVBQESA-N
MW264.30 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 40789873) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID40789873
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17FN2O2/c1-9(10-2-3-10)17-13(18)8-16-14(19)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyZZRQMZHNIBLVNL-VIFPVBQESA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
2-[4-[bis(4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8790788
N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 27886797
2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide
CID 154874831
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 40789873) is N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide is C[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ZZRQMZHNIBLVNL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(10-2-3-10)17-13(18)8-16-14(19)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,19)(H,17,18)/t9-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 264.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 40789873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).