N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

C19H16FN5O4 — CID 55984370

IUPACN-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H16FN5O4/c20-16-5-4-15(11-17(16)25(28)29)23-19(27)13-2-1-3-14(10-13)22-18(26)6-8-24-9-7-21-12-24/h1-5,7,9-12H,6,8H2,(H,22,26)(H,23,27)
InChIKeyNAYVLYSBHJMWCT-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.21
Rot. Bonds7

About N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide

N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (PubChem CID 55984370) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
PubChem CID55984370
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H16FN5O4/c20-16-5-4-15(11-17(16)25(28)29)23-19(27)13-2-1-3-14(10-13)22-18(26)6-8-24-9-7-21-12-24/h1-5,7,9-12H,6,8H2,(H,22,26)(H,23,27)
InChIKeyNAYVLYSBHJMWCT-UHFFFAOYSA-N
XLogP3.21
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.21
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

N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-(4-fluoro-2-methylphenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124285
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
methyl 2-chloro-5-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoate
CID 55985393
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
N-[3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55986679

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide (CID 55984370) is N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
The InChIKey is NAYVLYSBHJMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4/c20-16-5-4-15(11-17(16)25(28)29)23-19(27)13-2-1-3-14(10-13)22-18(26)6-8-24-9-7-21-12-24/h1-5,7,9-12H,6,8H2,(H,22,26)(H,23,27).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide?
N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide has a molecular weight of 397.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 55984370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).