N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide

C14H20ClN3O3 — CID 119607204

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)C(C)(CN)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-9(2)14(3,8-16)17-13(19)6-10-4-5-11(18(20)21)7-12(10)15/h4-5,7,9H,6,8,16H2,1-3H3,(H,17,19)
InChIKeyPVZMIOYGOJWLGT-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.28
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide (PubChem CID 119607204) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
PubChem CID119607204
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
SMILESCC(C)C(C)(CN)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-9(2)14(3,8-16)17-13(19)6-10-4-5-11(18(20)21)7-12(10)15/h4-5,7,9H,6,8,16H2,1-3H3,(H,17,19)
InChIKeyPVZMIOYGOJWLGT-UHFFFAOYSA-N
XLogP2.28
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.28
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-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-nitrophenyl)acetamide;hydrochloride
CID 119606827
4-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357589
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-2-methylpentanoic acid
CID 120517024
2-(2-chloro-4-nitrophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002368
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 81485966
(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-chloro-4-nitrophenyl)acetamide
CID 119526281
N-(2-amino-2-ethylbutyl)-2-(2-chloro-4-nitrophenyl)acetamide;hydrochloride
CID 119641734
(2S)-2-[(2-chloro-4-nitrophenyl)methylamino]propanoic acid
CID 83194102
3-[(2-chloro-4-nitrophenyl)methylamino]-3-methylbutanamide
CID 104580443
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide (CID 119607204) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide is CC(C)C(C)(CN)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide?
The InChIKey is PVZMIOYGOJWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(2)14(3,8-16)17-13(19)6-10-4-5-11(18(20)21)7-12(10)15/h4-5,7,9H,6,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 119607204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).