2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide

C16H14ClN3O5 — CID 46568580

IUPAC2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-10-2-4-11(5-3-10)19-16(22)13-8-12(20(23)24)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyVKAXDUKOOMDJMI-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide

2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide (PubChem CID 46568580) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
PubChem CID46568580
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-10-2-4-11(5-3-10)19-16(22)13-8-12(20(23)24)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyVKAXDUKOOMDJMI-UHFFFAOYSA-N
XLogP3.09
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
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

4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
CID 38327882
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631342
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 35335874
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
tert-butyl N-[3-[4-[(2-chloro-5-nitrobenzoyl)amino]anilino]propyl]carbamate
CID 139962956
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide (CID 46568580) is 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide is COCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide?
The InChIKey is VKAXDUKOOMDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-10-2-4-11(5-3-10)19-16(22)13-8-12(20(23)24)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide?
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide has a molecular weight of 363.76 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide is sourced from PubChem (CID 46568580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).