N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide

C16H13N3O3 — CID 2944727

IUPACN-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-15-5-3-2-4-13(15)10-17/h2-9,11H,1H3,(H,18,20)
InChIKeyNKMRMRHOTYDXBZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.21
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide

N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide (PubChem CID 2944727) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
PubChem CID2944727
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-15-5-3-2-4-13(15)10-17/h2-9,11H,1H3,(H,18,20)
InChIKeyNKMRMRHOTYDXBZ-UHFFFAOYSA-N
XLogP3.21
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
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

(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 895294
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate
CID 7752168
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
2-phenyl-N-[2-(2-phenylethynyl)phenyl]propanamide
CID 11508117
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
2-acetyl-N-(2-cyanophenyl)-4-nitro-3-phenylbutanamide
CID 54590279
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide (CID 2944727) is N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide is CC(C(=O)Nc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is NKMRMRHOTYDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11(12-6-8-14(9-7-12)19(21)22)16(20)18-15-5-3-2-4-13(15)10-17/h2-9,11H,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide?
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 295.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).