2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide

C22H19ClN2O3 — CID 55588452

IUPAC2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(24-22(26)19-13-12-18(25(27)28)14-20(19)23)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26)
InChIKeyABODICNBAWJXNN-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.20
Rot. Bonds6

About 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide

2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide (PubChem CID 55588452) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
PubChem CID55588452
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(24-22(26)19-13-12-18(25(27)28)14-20(19)23)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26)
InChIKeyABODICNBAWJXNN-UHFFFAOYSA-N
XLogP5.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.20
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

2-chloro-N-(3-methyl-1-phenylbutyl)-4-nitrobenzamide
CID 43022165
2-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 95943564
2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxybutanoic acid
CID 43238714
2-chloro-N-(1-methylsulfinylpropan-2-yl)-4-nitrobenzamide
CID 113415401
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
CID 8752391
2-chloro-N-[(2R)-3-methylbutan-2-yl]-5-nitrobenzamide
CID 28826019
2-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 47148658
[(1R)-1-phenylethyl] 2-chloro-4-nitrobenzoate
CID 2195552
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867
(2S)-2-[[2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 119238125
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-nitrobenzamide
CID 9194067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide (CID 55588452) is 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide is CC(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide?
The InChIKey is ABODICNBAWJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15(24-22(26)19-13-12-18(25(27)28)14-20(19)23)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3,(H,24,26).
What are the key properties of 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide?
2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide has a molecular weight of 394.86 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-diphenylpropan-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 55588452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).