(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide

C9H10ClN3O3 — CID 78972381

IUPAC(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-4-6(13(15)16)2-3-7(8)10/h2-5H,11H2,1H3,(H,12,14)/t5-/m1/s1
InChIKeySEFOVRAFXOOJIE-RXMQYKEDSA-N
MW243.65 g/mol
LogP1.53
Rot. Bonds3

About (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide

(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide (PubChem CID 78972381) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
PubChem CID78972381
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-4-6(13(15)16)2-3-7(8)10/h2-5H,11H2,1H3,(H,12,14)/t5-/m1/s1
InChIKeySEFOVRAFXOOJIE-RXMQYKEDSA-N
XLogP1.53
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.53
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-4-nitrophenyl)propanamide
CID 43218156
(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide
CID 30804766
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
CID 3950317
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897
N-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
2-[(2-chloro-5-nitrophenyl)carbamoyl-methylamino]propanoic acid
CID 62637582

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide (CID 78972381) is (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide is C[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide?
The InChIKey is SEFOVRAFXOOJIE-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-4-6(13(15)16)2-3-7(8)10/h2-5H,11H2,1H3,(H,12,14)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide?
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide has a molecular weight of 243.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide is sourced from PubChem (CID 78972381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).