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

C9H9ClN2O3 — CID 4280315

IUPACN-(2-chloro-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O3/c1-2-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13)
InChIKeyDHDFYBJGKTXXBW-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.60
Rot. Bonds3

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

N-(2-chloro-5-nitrophenyl)propanamide (PubChem CID 4280315) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)propanamide
PubChem CID4280315
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC NameN-(2-chloro-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O3/c1-2-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13)
InChIKeyDHDFYBJGKTXXBW-UHFFFAOYSA-N
XLogP2.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
3-(2-chloro-5-nitrophenyl)-1,1-diethylurea
CID 17257251
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
N-[2-(ethylamino)-5-nitrophenyl]propanamide
CID 71408638
5-(2-chloro-5-nitroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156159
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)propanamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)propanamide (CID 4280315) is N-(2-chloro-5-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)propanamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)propanamide is CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)propanamide?
The InChIKey is DHDFYBJGKTXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-2-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of N-(2-chloro-5-nitrophenyl)propanamide?
N-(2-chloro-5-nitrophenyl)propanamide has a molecular weight of 228.63 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)propanamide is sourced from PubChem (CID 4280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).