2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide

C14H14F3N3O6 — CID 122666886

IUPAC2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide
SMILESCOc1cc(C(=O)N2CCOCC2)c([N+](=O)[O-])cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H14F3N3O6/c1-25-11-6-8(12(21)19-2-4-26-5-3-19)10(20(23)24)7-9(11)18-13(22)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,22)
InChIKeyXHADKTCWTNSALK-UHFFFAOYSA-N
MW377.28 g/mol
LogP1.58
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide

2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide (PubChem CID 122666886) has the molecular formula C14H14F3N3O6 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide
PubChem CID122666886
Molecular FormulaC14H14F3N3O6
Molecular Weight377.28 g/mol
Exact Mass377.08
IUPAC Name2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide
SMILESCOc1cc(C(=O)N2CCOCC2)c([N+](=O)[O-])cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H14F3N3O6/c1-25-11-6-8(12(21)19-2-4-26-5-3-19)10(20(23)24)7-9(11)18-13(22)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,22)
InChIKeyXHADKTCWTNSALK-UHFFFAOYSA-N
XLogP1.58
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-butyl-6-methoxy-7-morpholin-4-yl-4-oxoquinoline-3-carboxamide
CID 145957632
N-(2-methoxyphenyl)-2,4-dinitrobenzamide
CID 3672610
5-methoxy-N-(2-methoxyphenyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 155513899
5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide
CID 155535533
3-Methoxy-2-[(4-nitrobenzoyl)amino]benzamide
CID 10567323
2-morpholino-5-nitro-N~1~-[4-(trifluoromethoxy)phenyl]benzamide
CID 4684953
5-methoxy-2-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135057736
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687880
2-Acetamido-5-methoxy-4-nitrobenzoic acid
CID 21260351
N-[2-(difluoromethoxy)phenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
CID 2986967
N-[2-methoxy-4-[methyl-[2-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-3-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 18354949
N-[2-methoxy-4-[methyl-(2-morpholin-4-ylphenyl)carbamoyl]phenyl]-3-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 18354956

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide (CID 122666886) is 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide is COc1cc(C(=O)N2CCOCC2)c([N+](=O)[O-])cc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide?
The InChIKey is XHADKTCWTNSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O6/c1-25-11-6-8(12(21)19-2-4-26-5-3-19)10(20(23)24)7-9(11)18-13(22)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,22).
What are the key properties of 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide?
2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide is sourced from PubChem (CID 122666886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).