N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide

C21H18FN3O3 — CID 123999268

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
SMILESO=NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1
InChIInChI=1S/C21H18FN3O3/c22-17-5-3-4-16(12-17)14-28-18-9-7-15(8-10-18)13-24-21(26)20(25-27)19-6-1-2-11-23-19/h1-12,20H,13-14H2,(H,24,26)
InChIKeyFKEZQRPXCBVOIA-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.92
Rot. Bonds8

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide (PubChem CID 123999268) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
PubChem CID123999268
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
SMILESO=NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1
InChIInChI=1S/C21H18FN3O3/c22-17-5-3-4-16(12-17)14-28-18-9-7-15(8-10-18)13-24-21(26)20(25-27)19-6-1-2-11-23-19/h1-12,20H,13-14H2,(H,24,26)
InChIKeyFKEZQRPXCBVOIA-UHFFFAOYSA-N
XLogP3.92
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
CID 38526114
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
CID 58115516
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111395599
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide (CID 123999268) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide is O=NC(C(=O)NCc1ccc(OCc2cccc(F)c2)cc1)c1ccccn1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide?
The InChIKey is FKEZQRPXCBVOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-17-5-3-4-16(12-17)14-28-18-9-7-15(8-10-18)13-24-21(26)20(25-27)19-6-1-2-11-23-19/h1-12,20H,13-14H2,(H,24,26).
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide has a molecular weight of 379.39 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide is sourced from PubChem (CID 123999268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).