2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide

C16H19F2N3O3 — CID 96506293

IUPAC2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
SMILESCN1C[C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C16H19F2N3O3/c1-21-9-11(3-5-15(21)23)20-14(22)6-7-19-16(24)12-4-2-10(17)8-13(12)18/h2,4,8,11H,3,5-7,9H2,1H3,(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyUHSNWYGCLIMBEB-NSHDSACASA-N
MW339.34 g/mol
LogP0.82
Rot. Bonds5

About 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide (PubChem CID 96506293) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
PubChem CID96506293
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide
SMILESCN1C[C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C16H19F2N3O3/c1-21-9-11(3-5-15(21)23)20-14(22)6-7-19-16(24)12-4-2-10(17)8-13(12)18/h2,4,8,11H,3,5-7,9H2,1H3,(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyUHSNWYGCLIMBEB-NSHDSACASA-N
XLogP0.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
2,4-difluoro-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119427082
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
N-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2,4-difluorobenzamide
CID 125171691
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide (CID 96506293) is 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide is CN1C[C@@H](NC(=O)CCNC(=O)c2ccc(F)cc2F)CCC1=O.
What is the InChIKey of 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is UHSNWYGCLIMBEB-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-21-9-11(3-5-15(21)23)20-14(22)6-7-19-16(24)12-4-2-10(17)8-13(12)18/h2,4,8,11H,3,5-7,9H2,1H3,(H,19,24)(H,20,22)/t11-/m0/s1.
What are the key properties of 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 339.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 96506293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).