2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide

C11H14ClN3O3 — CID 79797811

IUPAC2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-11(2,13)10(16)14-9-6-7(15(17)18)4-5-8(9)12/h4-6H,3,13H2,1-2H3,(H,14,16)
InChIKeyOIWQSQWELHUOML-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide

2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide (PubChem CID 79797811) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
PubChem CID79797811
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-3-11(2,13)10(16)14-9-6-7(15(17)18)4-5-8(9)12/h4-6H,3,13H2,1-2H3,(H,14,16)
InChIKeyOIWQSQWELHUOML-UHFFFAOYSA-N
XLogP2.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.31
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

2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 60846513
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
3-(2-chloro-5-nitrophenyl)-1,1-diethylurea
CID 17257251
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
6-amino-N-(2-chloro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 65290513
5-(2-chloro-5-nitroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156159
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide (CID 79797811) is 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide?
The InChIKey is OIWQSQWELHUOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-11(2,13)10(16)14-9-6-7(15(17)18)4-5-8(9)12/h4-6H,3,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide?
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide has a molecular weight of 271.70 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide is sourced from PubChem (CID 79797811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).