2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide

C10H12ClN3O4 — CID 81082919

IUPAC2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O4/c1-18-5-7(12)10(15)13-8-4-6(11)2-3-9(8)14(16)17/h2-4,7H,5,12H2,1H3,(H,13,15)
InChIKeyGVANZAXVMTXSRJ-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.16
Rot. Bonds5

About 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide

2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide (PubChem CID 81082919) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
PubChem CID81082919
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O4/c1-18-5-7(12)10(15)13-8-4-6(11)2-3-9(8)14(16)17/h2-4,7H,5,12H2,1H3,(H,13,15)
InChIKeyGVANZAXVMTXSRJ-UHFFFAOYSA-N
XLogP1.16
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
CID 43703652
2-amino-3-methoxy-N-(2-methyl-3-nitrophenyl)propanamide
CID 81082853
6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
CID 65290555
2-(5-chloro-2-nitroanilino)-3-methoxypropan-1-ol
CID 114155543
2-amino-N-(3-bromo-4-nitrophenyl)-3-methoxypropanamide
CID 82864686
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912
5-chloro-N-(2,3-dimethoxypropyl)-2-nitroaniline
CID 114100735
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
5-chloro-N-(1-methoxypentan-2-yl)-2-nitroaniline
CID 115469706
methyl 2-amino-3-(4-chloro-2-nitrophenyl)propanoate;hydrochloride
CID 155858941
3-(aminomethyl)-N-(5-chloro-2-nitrophenyl)pentanamide
CID 81076302
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide (CID 81082919) is 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide?
The InChIKey is GVANZAXVMTXSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c1-18-5-7(12)10(15)13-8-4-6(11)2-3-9(8)14(16)17/h2-4,7H,5,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide?
2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide has a molecular weight of 273.68 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide is sourced from PubChem (CID 81082919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).