2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide

C20H15F2N3O4 — CID 175599489

IUPAC2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2ccnc(NC(=O)Cc3cc(F)cc(F)c3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15F2N3O4/c1-29-16-2-3-17(18(11-16)25(27)28)13-4-5-23-19(9-13)24-20(26)8-12-6-14(21)10-15(22)7-12/h2-7,9-11H,8H2,1H3,(H,23,24,26)
InChIKeyMSJDJDDCHQAOKW-UHFFFAOYSA-N
MW399.35 g/mol
LogP4.12
Rot. Bonds6

About 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide

2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide (PubChem CID 175599489) has the molecular formula C20H15F2N3O4 and a molecular weight of 399.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide
PubChem CID175599489
Molecular FormulaC20H15F2N3O4
Molecular Weight399.35 g/mol
Exact Mass399.10
IUPAC Name2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2ccnc(NC(=O)Cc3cc(F)cc(F)c3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H15F2N3O4/c1-29-16-2-3-17(18(11-16)25(27)28)13-4-5-23-19(9-13)24-20(26)8-12-6-14(21)10-15(22)7-12/h2-7,9-11H,8H2,1H3,(H,23,24,26)
InChIKeyMSJDJDDCHQAOKW-UHFFFAOYSA-N
XLogP4.12
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
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-(3-fluorophenyl)-N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 175599495
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
CID 177145216
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9370182
2-cyclohexyl-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
CID 53379793
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide (CID 175599489) is 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide is COc1ccc(-c2ccnc(NC(=O)Cc3cc(F)cc(F)c3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide?
The InChIKey is MSJDJDDCHQAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O4/c1-29-16-2-3-17(18(11-16)25(27)28)13-4-5-23-19(9-13)24-20(26)8-12-6-14(21)10-15(22)7-12/h2-7,9-11H,8H2,1H3,(H,23,24,26).
What are the key properties of 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide?
2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide has a molecular weight of 399.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175599489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).