N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide

C22H21N3O3 — CID 141025082

IUPACN-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide
SMILESO=C(CCCc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c26-22(12-6-8-17-7-4-5-11-21(17)25(27)28)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-5,7,9-11,13-16,23H,6,8,12H2,(H,24,26)
InChIKeyDXMWEACSGXDPKU-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.30
Rot. Bonds8

About N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide

N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide (PubChem CID 141025082) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide
PubChem CID141025082
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide
SMILESO=C(CCCc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c26-22(12-6-8-17-7-4-5-11-21(17)25(27)28)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-5,7,9-11,13-16,23H,6,8,12H2,(H,24,26)
InChIKeyDXMWEACSGXDPKU-UHFFFAOYSA-N
XLogP5.30
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.30
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

N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-benzyl-4-(2-nitrophenyl)butanamide
CID 118501248
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
2-[3-(2-nitrophenyl)propanoylamino]benzoic acid
CID 141007938
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
N-(4-ethyl-3-nitrophenyl)-5-oxo-5-phenylpentanamide
CID 108796232
1-(2-nitrophenyl)heptan-4-one
CID 63061957
N-[4-(2,4-dinitroanilino)phenyl]-3-phenylpropanamide
CID 17233528
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
N-methyl-2-[4-[[2-(2-nitrophenyl)acetyl]amino]phenyl]-N-phenylacetamide
CID 60533837

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide?
The IUPAC name of N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide (CID 141025082) is N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide is O=C(CCCc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide?
The InChIKey is DXMWEACSGXDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(12-6-8-17-7-4-5-11-21(17)25(27)28)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-5,7,9-11,13-16,23H,6,8,12H2,(H,24,26).
What are the key properties of N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide?
N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide has a molecular weight of 375.43 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(2-nitrophenyl)butanamide is sourced from PubChem (CID 141025082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).