N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide

C19H21FN6O5 — CID 155150461

IUPACN-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H21FN6O5/c1-4-19(27)21-15-9-12(24(5-2)6-3)7-8-14(15)22-23-16-10-13(20)17(25(28)29)11-18(16)26(30)31/h7-11H,4-6H2,1-3H3,(H,21,27)/b23-22+
InChIKeyDORIMSHHVAUBGI-GHVJWSGMSA-N
MW432.41 g/mol
LogP5.25
Rot. Bonds9

About N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide

N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide (PubChem CID 155150461) has the molecular formula C19H21FN6O5 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
PubChem CID155150461
Molecular FormulaC19H21FN6O5
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC NameN-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H21FN6O5/c1-4-19(27)21-15-9-12(24(5-2)6-3)7-8-14(15)22-23-16-10-13(20)17(25(28)29)11-18(16)26(30)31/h7-11H,4-6H2,1-3H3,(H,21,27)/b23-22+
InChIKeyDORIMSHHVAUBGI-GHVJWSGMSA-N
XLogP5.25
TPSA143.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
CID 10994155
N-[2-[(3-cyano-5-nitrothiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]propanamide
CID 139603167
N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-[2-(1,3-dioxoisoindol-2-yl)ethyl-ethylamino]phenyl]propanamide
CID 59434939
[5-[[4-(diethylamino)-2-(methanesulfonamido)phenyl]diazenyl]-2,4-dinitrophenyl] thiocyanate
CID 155699076
dimethyl 4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3-nitrobenzene-1,2-dicarboxylate
CID 71558290
3-[3-acetamido-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoic acid
CID 90954472
N-[5-[bis(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
CID 155699021
2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 55868218
N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide
CID 164975401
methyl N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]carbamate
CID 21413081
N-[5-(diethylamino)-2-[(2,6-dimethanimidoyl-4-nitrophenyl)diazenyl]phenyl]-2-methylpropanamide
CID 3086017
N-[5-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]propanamide
CID 59434935

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide?
The IUPAC name of N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide (CID 155150461) is N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide.
What is the SMILES notation for N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide?
The canonical SMILES for N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide is CCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide?
The InChIKey is DORIMSHHVAUBGI-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H21FN6O5/c1-4-19(27)21-15-9-12(24(5-2)6-3)7-8-14(15)22-23-16-10-13(20)17(25(28)29)11-18(16)26(30)31/h7-11H,4-6H2,1-3H3,(H,21,27)/b23-22+.
What are the key properties of N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide?
N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide has a molecular weight of 432.41 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide is sourced from PubChem (CID 155150461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).