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

C16H14ClN3O5 — CID 38327882

IUPAC4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-11-3-5-12(6-4-11)19-16(22)13-7-2-10(17)8-14(13)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyNFFKFUKALHYGOZ-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.09
Rot. Bonds6

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

4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide (PubChem CID 38327882) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
PubChem CID38327882
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-11-3-5-12(6-4-11)19-16(22)13-7-2-10(17)8-14(13)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyNFFKFUKALHYGOZ-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-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
(2-anilino-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2504928
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
4-chloro-N-[4-(cyclopentylmethylamino)phenyl]-2-nitrobenzamide
CID 56533911
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2505075
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
ethyl (E)-3-[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]prop-2-enoate
CID 27054354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide (CID 38327882) is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide is COCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide?
The InChIKey is NFFKFUKALHYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-25-9-15(21)18-11-3-5-12(6-4-11)19-16(22)13-7-2-10(17)8-14(13)20(23)24/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide?
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-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 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-nitrobenzamide is sourced from PubChem (CID 38327882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).