N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide

C24H23N3O4 — CID 34215372

IUPACN-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
SMILESC[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H23N3O4/c1-17(26(2)23(28)15-18-11-13-22(14-12-18)27(30)31)20-9-6-10-21(16-20)25-24(29)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,25,29)/t17-/m1/s1
InChIKeyAJJQWHMFHXCOKB-QGZVFWFLSA-N
MW417.47 g/mol
LogP4.61
Rot. Bonds7

About N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 34215372) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID34215372
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide
SMILESC[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H23N3O4/c1-17(26(2)23(28)15-18-11-13-22(14-12-18)27(30)31)20-9-6-10-21(16-20)25-24(29)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,25,29)/t17-/m1/s1
InChIKeyAJJQWHMFHXCOKB-QGZVFWFLSA-N
XLogP4.61
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.61
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

N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
N-[4-[methyl-[1-(3-nitrophenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 46565406
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
N-[3-[1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-methylamino]ethyl]phenyl]benzamide
CID 46533575
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-[3-[(1R)-1-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]-methylamino]ethyl]phenyl]benzamide
CID 51728404
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 46688043

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide (CID 34215372) is N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide is C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is AJJQWHMFHXCOKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-17(26(2)23(28)15-18-11-13-22(14-12-18)27(30)31)20-9-6-10-21(16-20)25-24(29)19-7-4-3-5-8-19/h3-14,16-17H,15H2,1-2H3,(H,25,29)/t17-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[methyl-[2-(4-nitrophenyl)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 34215372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).