N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide

C15H10ClN3O6 — CID 4081357

IUPACN-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide
SMILESO=C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O6/c16-9-3-1-4-10(7-9)17-15(21)14(20)8-11-12(18(22)23)5-2-6-13(11)19(24)25/h1-7H,8H2,(H,17,21)
InChIKeyNBQUQSCGAPZIOO-UHFFFAOYSA-N
MW363.71 g/mol
LogP2.91
Rot. Bonds6

About N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide

N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide (PubChem CID 4081357) has the molecular formula C15H10ClN3O6 and a molecular weight of 363.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide
PubChem CID4081357
Molecular FormulaC15H10ClN3O6
Molecular Weight363.71 g/mol
Exact Mass363.03
IUPAC NameN-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide
SMILESO=C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClN3O6/c16-9-3-1-4-10(7-9)17-15(21)14(20)8-11-12(18(22)23)5-2-6-13(11)19(24)25/h1-7H,8H2,(H,17,21)
InChIKeyNBQUQSCGAPZIOO-UHFFFAOYSA-N
XLogP2.91
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

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CID 115677622
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
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CID 119056356
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
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CID 108516544
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CID 7992469
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9344512
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide (CID 4081357) is N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide is O=C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide?
The InChIKey is NBQUQSCGAPZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O6/c16-9-3-1-4-10(7-9)17-15(21)14(20)8-11-12(18(22)23)5-2-6-13(11)19(24)25/h1-7H,8H2,(H,17,21).
What are the key properties of N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide?
N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide has a molecular weight of 363.71 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2,6-dinitrophenyl)-2-oxopropanamide is sourced from PubChem (CID 4081357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).