3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C14H19F2N3O2 — CID 79760388

IUPAC3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H19F2N3O2/c1-9(8-19-4-6-21-7-5-19)18-14(20)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3,(H,18,20)
InChIKeyMOUQMEUOOSIUPM-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide

3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 79760388) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID79760388
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H19F2N3O2/c1-9(8-19-4-6-21-7-5-19)18-14(20)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3,(H,18,20)
InChIKeyMOUQMEUOOSIUPM-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445750
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97050710
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
methyl 2-[(3-amino-2,6-difluorobenzoyl)amino]-3-methylbutanoate
CID 79773150
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
CID 51080935
4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 55715611

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 79760388) is 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is MOUQMEUOOSIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-9(8-19-4-6-21-7-5-19)18-14(20)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 299.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 79760388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).