N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide

C21H17FN2O3 — CID 4043303

IUPACN-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C21H17FN2O3/c22-19-12-11-17(24(26)27)13-20(19)23-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,23,25)
InChIKeyHBACYQLCTCWXQS-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.89
Rot. Bonds6

About N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide

N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide (PubChem CID 4043303) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
PubChem CID4043303
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C21H17FN2O3/c22-19-12-11-17(24(26)27)13-20(19)23-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,23,25)
InChIKeyHBACYQLCTCWXQS-UHFFFAOYSA-N
XLogP4.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
(3S)-3-(4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
CID 1305011
(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1307684
(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1343901
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
3-acetamido-N-(2-fluoro-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide
CID 78806001

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide (CID 4043303) is N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide?
The InChIKey is HBACYQLCTCWXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-19-12-11-17(24(26)27)13-20(19)23-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,23,25).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide?
N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide has a molecular weight of 364.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 4043303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).