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

C14H10ClN3O4 — CID 819437

IUPACN-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-12-7-10(18(21)22)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)
InChIKeyBUMZZVDKLUBFQQ-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.60
Rot. Bonds4

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

N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide (PubChem CID 819437) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
PubChem CID819437
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-12-7-10(18(21)22)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)
InChIKeyBUMZZVDKLUBFQQ-UHFFFAOYSA-N
XLogP2.60
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.60
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-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7718489
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7718488
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
CID 55611030

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide (CID 819437) is N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide is NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide?
The InChIKey is BUMZZVDKLUBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-12-7-10(18(21)22)5-6-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20).
What are the key properties of N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide?
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide has a molecular weight of 319.70 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide is sourced from PubChem (CID 819437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).