N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide

C19H22ClN3O3 — CID 119526281

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-12(2)13-3-5-14(6-4-13)18(21)11-22-19(24)9-15-7-8-16(23(25)26)10-17(15)20/h3-8,10,12,18H,9,11,21H2,1-2H3,(H,22,24)
InChIKeyLDWWSIOFRDJBLT-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.73
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 119526281) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
PubChem CID119526281
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)c1ccc(C(N)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-12(2)13-3-5-14(6-4-13)18(21)11-22-19(24)9-15-7-8-16(23(25)26)10-17(15)20/h3-8,10,12,18H,9,11,21H2,1-2H3,(H,22,24)
InChIKeyLDWWSIOFRDJBLT-UHFFFAOYSA-N
XLogP3.73
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.73
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-(4-propan-2-ylphenyl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 119525329
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 71917431
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 119525599
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204
(2S)-2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119361773
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
2-[[[2-(2-chloro-4-nitrophenyl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533367
(2S)-2-[(2-chloro-4-nitrophenyl)methylamino]propanoic acid
CID 83194102
2-chloro-4-nitro-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7916963
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-amine
CID 63196953

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide (CID 119526281) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide is CC(C)c1ccc(C(N)CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is LDWWSIOFRDJBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12(2)13-3-5-14(6-4-13)18(21)11-22-19(24)9-15-7-8-16(23(25)26)10-17(15)20/h3-8,10,12,18H,9,11,21H2,1-2H3,(H,22,24).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 3.73, 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-(4-propan-2-ylphenyl)ethyl]-2-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 119526281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).