2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide

C20H17FN4O4 — CID 70302129

IUPAC2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide
SMILESNC(Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17FN4O4/c21-14-2-1-3-15(11-14)24-20(26)18(22)10-13-4-7-17(8-5-13)29-19-9-6-16(12-23-19)25(27)28/h1-9,11-12,18H,10,22H2,(H,24,26)
InChIKeyWYJMXQOZTLSVDQ-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.43
Rot. Bonds7

About 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide

2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide (PubChem CID 70302129) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide
PubChem CID70302129
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide
SMILESNC(Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17FN4O4/c21-14-2-1-3-15(11-14)24-20(26)18(22)10-13-4-7-17(8-5-13)29-19-9-6-16(12-23-19)25(27)28/h1-9,11-12,18H,10,22H2,(H,24,26)
InChIKeyWYJMXQOZTLSVDQ-UHFFFAOYSA-N
XLogP3.43
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
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

(2S)-2-amino-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 25143393
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 25141925
2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
CID 129109134
(2S)-1-[(2S)-2-amino-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanoyl]pyrrolidine-2-carboxamide
CID 25143118
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
(2S)-2-amino-3-[4-[4-[(5-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanoic acid;dihydrochloride
CID 68906740
2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide
CID 74394698
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 22847699
(Z)-2-cyano-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126227833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide?
The IUPAC name of 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide (CID 70302129) is 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide?
The canonical SMILES for 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide is NC(Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide?
The InChIKey is WYJMXQOZTLSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-14-2-1-3-15(11-14)24-20(26)18(22)10-13-4-7-17(8-5-13)29-19-9-6-16(12-23-19)25(27)28/h1-9,11-12,18H,10,22H2,(H,24,26).
What are the key properties of 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide?
2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide has a molecular weight of 396.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide is sourced from PubChem (CID 70302129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).