(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide

C20H20N2O5 — CID 124632144

IUPAC(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide
SMILESCC[C@H](C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c1-2-17(20(25)14-7-4-3-5-8-14)18(23)11-12-19(24)21-15-9-6-10-16(13-15)22(26)27/h3-10,13,17H,2,11-12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyKXOVRBJDOHDBBB-QGZVFWFLSA-N
MW368.39 g/mol
LogP3.79
Rot. Bonds9

About (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide

(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide (PubChem CID 124632144) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide.

Molecular Properties

Compound Name(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide
PubChem CID124632144
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide
SMILESCC[C@H](C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c1-2-17(20(25)14-7-4-3-5-8-14)18(23)11-12-19(24)21-15-9-6-10-16(13-15)22(26)27/h3-10,13,17H,2,11-12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyKXOVRBJDOHDBBB-QGZVFWFLSA-N
XLogP3.79
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid
CID 3821512
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
benzhydryl 4-(3-nitroanilino)-4-oxobutanoate
CID 1310271
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide?
The IUPAC name of (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide (CID 124632144) is (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide.
What is the SMILES notation for (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide?
The canonical SMILES for (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide is CC[C@H](C(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1.
What is the InChIKey of (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide?
The InChIKey is KXOVRBJDOHDBBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-2-17(20(25)14-7-4-3-5-8-14)18(23)11-12-19(24)21-15-9-6-10-16(13-15)22(26)27/h3-10,13,17H,2,11-12H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide?
(5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide has a molecular weight of 368.39 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzoyl-N-(3-nitrophenyl)-4-oxoheptanamide is sourced from PubChem (CID 124632144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).