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

C11H14ClN3O3 — CID 43703652

IUPAC2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-2-3-8(13)11(16)14-9-6-7(12)4-5-10(9)15(17)18/h4-6,8H,2-3,13H2,1H3,(H,14,16)
InChIKeyHCEQVYNDPSKFPZ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.31
Rot. Bonds5

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

2-amino-N-(5-chloro-2-nitrophenyl)pentanamide (PubChem CID 43703652) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
PubChem CID43703652
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-2-3-8(13)11(16)14-9-6-7(12)4-5-10(9)15(17)18/h4-6,8H,2-3,13H2,1H3,(H,14,16)
InChIKeyHCEQVYNDPSKFPZ-UHFFFAOYSA-N
XLogP2.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
CID 81082919
6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
CID 65290555
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
CID 43709921
2-amino-N-(4-cyano-2-nitrophenyl)pentanamide
CID 78965671
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)hexanamide
CID 107145335
3-(aminomethyl)-N-(5-chloro-2-nitrophenyl)pentanamide
CID 81076302
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide (CID 43703652) is 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide is CCCC(N)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide?
The InChIKey is HCEQVYNDPSKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-3-8(13)11(16)14-9-6-7(12)4-5-10(9)15(17)18/h4-6,8H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide?
2-amino-N-(5-chloro-2-nitrophenyl)pentanamide has a molecular weight of 271.70 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-nitrophenyl)pentanamide is sourced from PubChem (CID 43703652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).