N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide

C15H11ClN2O4 — CID 773732

IUPACN-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C15H11ClN2O4/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-7-6-12(18(21)22)8-14(13)16/h2-8H,1H3,(H,17,20)
InChIKeyYVCRQSKRTNYSJT-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.70
Rot. Bonds4

About N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide

N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide (PubChem CID 773732) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
PubChem CID773732
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC NameN-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C15H11ClN2O4/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-7-6-12(18(21)22)8-14(13)16/h2-8H,1H3,(H,17,20)
InChIKeyYVCRQSKRTNYSJT-UHFFFAOYSA-N
XLogP3.70
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.70
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

N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7718417
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide?
The IUPAC name of N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide (CID 773732) is N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide is CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide?
The InChIKey is YVCRQSKRTNYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c1-9(19)10-2-4-11(5-3-10)17-15(20)13-7-6-12(18(21)22)8-14(13)16/h2-8H,1H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide?
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide has a molecular weight of 318.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide is sourced from PubChem (CID 773732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).