2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide

C23H21N3O5 — CID 3104542

IUPAC2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H21N3O5/c1-16(15-17-5-3-2-4-6-17)24-23(27)22(18-7-11-20(12-8-18)25(28)29)19-9-13-21(14-10-19)26(30)31/h2-14,16,22H,15H2,1H3,(H,24,27)
InChIKeySKSBIDXFNLSUDP-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.38
Rot. Bonds8

About 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide

2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 3104542) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
PubChem CID3104542
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H21N3O5/c1-16(15-17-5-3-2-4-6-17)24-23(27)22(18-7-11-20(12-8-18)25(28)29)19-9-13-21(14-10-19)26(30)31/h2-14,16,22H,15H2,1H3,(H,24,27)
InChIKeySKSBIDXFNLSUDP-UHFFFAOYSA-N
XLogP4.38
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 14747473
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-3-(4-nitrophenyl)propanoic acid;benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-(4-nitrophenyl)propan-2-yl]carbamate
CID 160907290
benzyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate
CID 126011117
3-benzyl-5-nitro-4-(4-nitrophenyl)pentan-2-one
CID 102045879
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
(2R)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 1069316
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide (CID 3104542) is 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)NC(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is SKSBIDXFNLSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-16(15-17-5-3-2-4-6-17)24-23(27)22(18-7-11-20(12-8-18)25(28)29)19-9-13-21(14-10-19)26(30)31/h2-14,16,22H,15H2,1H3,(H,24,27).
What are the key properties of 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 3104542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).