N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide

C14H12ClN3O4 — CID 23464321

IUPACN-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-10-3-6-12(16)13(7-10)18(20)21/h1-7H,8,16H2,(H,17,19)
InChIKeyZOOPUTMHMFBNLB-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.85
Rot. Bonds5

About N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide

N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 23464321) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID23464321
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC NameN-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-10-3-6-12(16)13(7-10)18(20)21/h1-7H,8,16H2,(H,17,19)
InChIKeyZOOPUTMHMFBNLB-UHFFFAOYSA-N
XLogP2.85
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
CID 4535018
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781603
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770418
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide (CID 23464321) is N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide is Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is ZOOPUTMHMFBNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c15-9-1-4-11(5-2-9)22-8-14(19)17-10-3-6-12(16)13(7-10)18(20)21/h1-7H,8,16H2,(H,17,19).
What are the key properties of N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide?
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 321.72 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 23464321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).