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

C12H16ClN3O3 — CID 60846513

IUPAC2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-3-6-12(2,14)11(17)15-10-7-8(16(18)19)4-5-9(10)13/h4-5,7H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyRIERYNMBMLZPRK-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.70
Rot. Bonds5

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

2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide (PubChem CID 60846513) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
PubChem CID60846513
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H16ClN3O3/c1-3-6-12(2,14)11(17)15-10-7-8(16(18)19)4-5-9(10)13/h4-5,7H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyRIERYNMBMLZPRK-UHFFFAOYSA-N
XLogP2.70
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.70
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-methylbutanamide
CID 79797811
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
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
6-amino-N-(2-chloro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 65290513
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
5-(2-chloro-5-nitroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156159
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide (CID 60846513) is 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide?
The InChIKey is RIERYNMBMLZPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-3-6-12(2,14)11(17)15-10-7-8(16(18)19)4-5-9(10)13/h4-5,7H,3,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide?
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide has a molecular weight of 285.73 g/mol, XLogP of 2.70, 5 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-methylpentanamide is sourced from PubChem (CID 60846513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).