4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide

C19H20N4O4 — CID 49412629

IUPAC4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c20-16-8-7-14(11-17(16)23(26)27)19(25)21-15-5-3-4-13(10-15)12-22-9-2-1-6-18(22)24/h3-5,7-8,10-11H,1-2,6,9,12,20H2,(H,21,25)
InChIKeyBDDNAGCRPTVVCT-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.94
Rot. Bonds5

About 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide

4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 49412629) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID49412629
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O4/c20-16-8-7-14(11-17(16)23(26)27)19(25)21-15-5-3-4-13(10-15)12-22-9-2-1-6-18(22)24/h3-5,7-8,10-11H,1-2,6,9,12,20H2,(H,21,25)
InChIKeyBDDNAGCRPTVVCT-UHFFFAOYSA-N
XLogP2.94
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55414254
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 49359891
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
4-amino-N-(3-ethynylphenyl)-3-nitrobenzamide
CID 31812447
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36663059
4-amino-N-[4-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115885265
4-amino-N-[3-(methanesulfonamido)phenyl]-3-nitrobenzamide
CID 38323018
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
CID 8921001

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (CID 49412629) is 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is BDDNAGCRPTVVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c20-16-8-7-14(11-17(16)23(26)27)19(25)21-15-5-3-4-13(10-15)12-22-9-2-1-6-18(22)24/h3-5,7-8,10-11H,1-2,6,9,12,20H2,(H,21,25).
What are the key properties of 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 49412629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).