2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide

C12H10ClN3O3S — CID 115286307

IUPAC2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C12H10ClN3O3S/c13-8-4-3-7(6-9(8)16(18)19)15-12(17)11(14)10-2-1-5-20-10/h1-6,11H,14H2,(H,15,17)
InChIKeyPNDCKAFGVUMAPZ-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide

2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide (PubChem CID 115286307) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
PubChem CID115286307
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C12H10ClN3O3S/c13-8-4-3-7(6-9(8)16(18)19)15-12(17)11(14)10-2-1-5-20-10/h1-6,11H,14H2,(H,15,17)
InChIKeyPNDCKAFGVUMAPZ-UHFFFAOYSA-N
XLogP2.95
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
CID 171225926
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-phenyl-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 60563885
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide (CID 115286307) is 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide is NC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is PNDCKAFGVUMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c13-8-4-3-7(6-9(8)16(18)19)15-12(17)11(14)10-2-1-5-20-10/h1-6,11H,14H2,(H,15,17).
What are the key properties of 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide?
2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 311.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).