N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide

C9H7Cl2N3O4 — CID 16640841

IUPACN-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H7Cl2N3O4/c1-4(15)12-9(16)13-8-6(10)2-5(14(17)18)3-7(8)11/h2-3H,1H3,(H2,12,13,15,16)
InChIKeyLKQHYQDIHYXOMN-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.57
Rot. Bonds2

About N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide

N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide (PubChem CID 16640841) has the molecular formula C9H7Cl2N3O4 and a molecular weight of 292.08 g/mol. Its IUPAC name is N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide
PubChem CID16640841
Molecular FormulaC9H7Cl2N3O4
Molecular Weight292.08 g/mol
Exact Mass290.98
IUPAC NameN-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H7Cl2N3O4/c1-4(15)12-9(16)13-8-6(10)2-5(14(17)18)3-7(8)11/h2-3H,1H3,(H2,12,13,15,16)
InChIKeyLKQHYQDIHYXOMN-UHFFFAOYSA-N
XLogP2.57
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.57
H-Bond Donors ≤ 52
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

3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
N-acetyl-3,5-dinitrobenzamide
CID 142668942
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
3-chloro-2-(2-methylprop-2-enylamino)-5-nitrobenzoic acid
CID 107191376
3-(2,6-dichloro-4-nitroanilino)butanamide
CID 104917716
1-(2,6-dichloro-4-nitroanilino)-2-methylpentan-2-ol
CID 106290754
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
1-(2,6-dichloro-4-nitroanilino)-1-hydroxy-5-methoxy-3-methoxycarbonyl-4,5-dioxopent-1-en-2-olate
CID 135720649

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide?
The IUPAC name of N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide (CID 16640841) is N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide.
What is the SMILES notation for N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide?
The canonical SMILES for N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide is CC(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide?
The InChIKey is LKQHYQDIHYXOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O4/c1-4(15)12-9(16)13-8-6(10)2-5(14(17)18)3-7(8)11/h2-3H,1H3,(H2,12,13,15,16).
What are the key properties of N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide?
N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide has a molecular weight of 292.08 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-4-nitrophenyl)carbamoyl]acetamide is sourced from PubChem (CID 16640841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).