N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide

C15H12ClN3O4 — CID 47037281

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c16-10-5-6-11(13(8-10)19(22)23)15(21)18-12-4-2-1-3-9(12)7-14(17)20/h1-6,8H,7H2,(H2,17,20)(H,18,21)
InChIKeyJLZVREQFSIHHJE-UHFFFAOYSA-N
MW333.73 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide

N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide (PubChem CID 47037281) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide
PubChem CID47037281
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClN3O4/c16-10-5-6-11(13(8-10)19(22)23)15(21)18-12-4-2-1-3-9(12)7-14(17)20/h1-6,8H,7H2,(H2,17,20)(H,18,21)
InChIKeyJLZVREQFSIHHJE-UHFFFAOYSA-N
XLogP2.53
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 52.53
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

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CID 789181
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4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
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CID 4582085
ethyl 4-[2-[(4-chloro-2-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
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4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
5-(4-chloro-2-nitrophenyl)-N-(2-ethylphenyl)-2-methylfuran-3-carboxamide
CID 7464341
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide (CID 47037281) is N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide is NC(=O)Cc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide?
The InChIKey is JLZVREQFSIHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-10-5-6-11(13(8-10)19(22)23)15(21)18-12-4-2-1-3-9(12)7-14(17)20/h1-6,8H,7H2,(H2,17,20)(H,18,21).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide has a molecular weight of 333.73 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide is sourced from PubChem (CID 47037281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).