N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide

C11H14ClN3O3 — CID 82864476

IUPACN-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,13-3)10(16)14-7-4-5-9(15(17)18)8(12)6-7/h4-6,13H,1-3H3,(H,14,16)
InChIKeyDXNHMLGOJWOSOE-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.18
Rot. Bonds4

About N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide

N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 82864476) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID82864476
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H14ClN3O3/c1-11(2,13-3)10(16)14-7-4-5-9(15(17)18)8(12)6-7/h4-6,13H,1-3H3,(H,14,16)
InChIKeyDXNHMLGOJWOSOE-UHFFFAOYSA-N
XLogP2.18
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.18
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

N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82865144
N-(4-bromo-3-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 79768002
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide (CID 82864476) is N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is DXNHMLGOJWOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(2,13-3)10(16)14-7-4-5-9(15(17)18)8(12)6-7/h4-6,13H,1-3H3,(H,14,16).
What are the key properties of N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide?
N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 271.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 82864476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).