N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C18H16FN3O4 — CID 60528421

IUPACN-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C18H16FN3O4/c1-10-7-14(10)18(24)20-12-4-2-3-11(8-12)17(23)21-16-9-13(22(25)26)5-6-15(16)19/h2-6,8-10,14H,7H2,1H3,(H,20,24)(H,21,23)
InChIKeyJGVSCCPPFUPPGE-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.58
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 60528421) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID60528421
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C18H16FN3O4/c1-10-7-14(10)18(24)20-12-4-2-3-11(8-12)17(23)21-16-9-13(22(25)26)5-6-15(16)19/h2-6,8-10,14H,7H2,1H3,(H,20,24)(H,21,23)
InChIKeyJGVSCCPPFUPPGE-UHFFFAOYSA-N
XLogP3.58
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(3-nitrophenyl)benzamide
CID 38763493
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 60528421) is N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is JGVSCCPPFUPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-10-7-14(10)18(24)20-12-4-2-3-11(8-12)17(23)21-16-9-13(22(25)26)5-6-15(16)19/h2-6,8-10,14H,7H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 357.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 60528421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).