3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide

C10H10ClN3O5 — CID 62727735

IUPAC3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c1-6(5-11)10(15)12-8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyWYDLOLLDCUONBV-UHFFFAOYSA-N
MW287.66 g/mol
LogP2.32
Rot. Bonds5

About 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide

3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide (PubChem CID 62727735) has the molecular formula C10H10ClN3O5 and a molecular weight of 287.66 g/mol. Its IUPAC name is 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
PubChem CID62727735
Molecular FormulaC10H10ClN3O5
Molecular Weight287.66 g/mol
Exact Mass287.03
IUPAC Name3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c1-6(5-11)10(15)12-8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,6H,5H2,1H3,(H,12,15)
InChIKeyWYDLOLLDCUONBV-UHFFFAOYSA-N
XLogP2.32
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
N-(4-bromo-2-nitrophenyl)-3-chloro-2-methylpropanamide
CID 55110433
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
2-bromo-N-(2,4-dinitrophenyl)butanamide
CID 62855010
(2S)-2-methyl-N-[4-[[(2R)-2-methylbutanoyl]amino]-3-nitrophenyl]butanamide
CID 7233020
3-chloro-N-(2,5-dimethyl-4-nitrophenyl)-2-methylpropanamide
CID 103145250
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604
(2,4-dinitrophenyl)carbamic acid
CID 154114547
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
1-(2,4-dinitrophenyl)-3-nitrourea
CID 12548690
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982
2-(2-methylbutanoylamino)-4-nitrobenzoic acid
CID 55177104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide (CID 62727735) is 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide is CC(CCl)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide?
The InChIKey is WYDLOLLDCUONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O5/c1-6(5-11)10(15)12-8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,6H,5H2,1H3,(H,12,15).
What are the key properties of 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide?
3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide has a molecular weight of 287.66 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 62727735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).