4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide

C18H19N3O4 — CID 46412770

IUPAC4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)19-11-14-7-9-15(10-8-14)18(23)20(2)12-16-5-3-4-6-17(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyDPSWSCRPHYQYAK-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.50
Rot. Bonds6

About 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide

4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide (PubChem CID 46412770) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
PubChem CID46412770
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4/c1-13(22)19-11-14-7-9-15(10-8-14)18(23)20(2)12-16-5-3-4-6-17(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyDPSWSCRPHYQYAK-UHFFFAOYSA-N
XLogP2.50
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.50
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

1-N-cyclopropyl-4-N-methyl-4-N-[(2-nitrophenyl)methyl]benzene-1,4-dicarboxamide
CID 178070531
4-butoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 112819451
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191
5-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide
CID 63858698
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 112832707
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide (CID 46412770) is 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide is CC(=O)NCc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
The InChIKey is DPSWSCRPHYQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(22)19-11-14-7-9-15(10-8-14)18(23)20(2)12-16-5-3-4-6-17(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide?
4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 46412770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).