3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide

C14H14F2N6O3 — CID 166219169

IUPAC3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCOC(c2nn[nH]n2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N6O3/c15-9-2-1-8(5-10(9)16)14(24)17-6-12(23)22-3-4-25-11(7-22)13-18-20-21-19-13/h1-2,5,11H,3-4,6-7H2,(H,17,24)(H,18,19,20,21)
InChIKeyOOBUWKHNKFTTMD-UHFFFAOYSA-N
MW352.30 g/mol
LogP-0.19
Rot. Bonds4

About 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide

3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide (PubChem CID 166219169) has the molecular formula C14H14F2N6O3 and a molecular weight of 352.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
PubChem CID166219169
Molecular FormulaC14H14F2N6O3
Molecular Weight352.30 g/mol
Exact Mass352.11
IUPAC Name3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCOC(c2nn[nH]n2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N6O3/c15-9-2-1-8(5-10(9)16)14(24)17-6-12(23)22-3-4-25-11(7-22)13-18-20-21-19-13/h1-2,5,11H,3-4,6-7H2,(H,17,24)(H,18,19,20,21)
InChIKeyOOBUWKHNKFTTMD-UHFFFAOYSA-N
XLogP-0.19
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157012718
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
pyrazolo[1,5-a]pyridin-5-yl-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 165418573
N-[2-[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 124978380
(7-fluoro-3-methyl-1H-indol-2-yl)-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157018576
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide (CID 166219169) is 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide is O=C(NCC(=O)N1CCOC(c2nn[nH]n2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide?
The InChIKey is OOBUWKHNKFTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O3/c15-9-2-1-8(5-10(9)16)14(24)17-6-12(23)22-3-4-25-11(7-22)13-18-20-21-19-13/h1-2,5,11H,3-4,6-7H2,(H,17,24)(H,18,19,20,21).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide has a molecular weight of 352.30 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-oxo-2-[2-(2H-tetrazol-5-yl)morpholin-4-yl]ethyl]benzamide is sourced from PubChem (CID 166219169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).