N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide

C15H14ClN3O3 — CID 118727818

IUPACN-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide
SMILESNc1c(NC(=O)CCc2ccccc2)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c16-11-8-12(15(17)13(9-11)19(21)22)18-14(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2,(H,18,20)
InChIKeyHMMYIHGSZPRWEM-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.40
Rot. Bonds5

About N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide

N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide (PubChem CID 118727818) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide
PubChem CID118727818
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide
SMILESNc1c(NC(=O)CCc2ccccc2)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O3/c16-11-8-12(15(17)13(9-11)19(21)22)18-14(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2,(H,18,20)
InChIKeyHMMYIHGSZPRWEM-UHFFFAOYSA-N
XLogP3.40
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
ethyl 4-nitro-3-(3-phenylpropanoylamino)benzoate
CID 18315524
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
N-[4-(2,4-dinitroanilino)phenyl]-3-phenylpropanamide
CID 17233528
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-phenylpropanamide
CID 4627861
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
benzyl-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 8901362
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide (CID 118727818) is N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide is Nc1c(NC(=O)CCc2ccccc2)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide?
The InChIKey is HMMYIHGSZPRWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-8-12(15(17)13(9-11)19(21)22)18-14(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2,(H,18,20).
What are the key properties of N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide?
N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide has a molecular weight of 319.75 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chloro-3-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 118727818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).