N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride

C14H21Cl2N3O3 — CID 119641734

IUPACN-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-3-14(16,4-2)9-17-13(19)7-10-5-6-11(18(20)21)8-12(10)15;/h5-6,8H,3-4,7,9,16H2,1-2H3,(H,17,19);1H
InChIKeyGITSZNFHXDWVLC-UHFFFAOYSA-N
MW350.25 g/mol
LogP2.85
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride (PubChem CID 119641734) has the molecular formula C14H21Cl2N3O3 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
PubChem CID119641734
Molecular FormulaC14H21Cl2N3O3
Molecular Weight350.25 g/mol
Exact Mass349.10
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-3-14(16,4-2)9-17-13(19)7-10-5-6-11(18(20)21)8-12(10)15;/h5-6,8H,3-4,7,9,16H2,1-2H3,(H,17,19);1H
InChIKeyGITSZNFHXDWVLC-UHFFFAOYSA-N
XLogP2.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 52.85
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-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
2-[[[2-(2-chloro-4-nitrophenyl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533367
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734
2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002368
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
CID 119526281
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-2-methylpentanoic acid
CID 120517024
2-[(2-chloro-4-nitrophenyl)methylamino]-2-ethylbutan-1-ol
CID 55082634
3-amino-N-[(2-chloro-5-nitrophenyl)methyl]butanamide;hydrochloride
CID 119821355
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride (CID 119641734) is N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride is CCC(N)(CC)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride?
The InChIKey is GITSZNFHXDWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3.ClH/c1-3-14(16,4-2)9-17-13(19)7-10-5-6-11(18(20)21)8-12(10)15;/h5-6,8H,3-4,7,9,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119641734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).