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

C10H12ClN3O3 — CID 60638642

IUPACN-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-6(12-2)10(15)13-9-4-3-7(14(16)17)5-8(9)11/h3-6,12H,1-2H3,(H,13,15)
InChIKeyXCGRXUUZUHTLHD-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.79
Rot. Bonds4

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

N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide (PubChem CID 60638642) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
PubChem CID60638642
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H12ClN3O3/c1-6(12-2)10(15)13-9-4-3-7(14(16)17)5-8(9)11/h3-6,12H,1-2H3,(H,13,15)
InChIKeyXCGRXUUZUHTLHD-UHFFFAOYSA-N
XLogP1.79
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.79
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-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
(2R)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040883
(2S)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040882
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 3964783
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 42044882

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide (CID 60638642) is N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide?
The InChIKey is XCGRXUUZUHTLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-6(12-2)10(15)13-9-4-3-7(14(16)17)5-8(9)11/h3-6,12H,1-2H3,(H,13,15).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide?
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide has a molecular weight of 257.68 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 60638642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).