N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide

C15H13Cl2N3O3 — CID 54394064

IUPACN-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide
SMILESNC(=O)C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccccn1
InChIInChI=1S/C15H13Cl2N3O3/c16-10-5-3-6-11(17)12(10)14(22)20-15(13(18)21)23-8-9-4-1-2-7-19-9/h1-7,15H,8H2,(H2,18,21)(H,20,22)
InChIKeyVIROEFVBTAEPCE-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.15
Rot. Bonds6

About N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide

N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide (PubChem CID 54394064) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide
PubChem CID54394064
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC NameN-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide
SMILESNC(=O)C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccccn1
InChIInChI=1S/C15H13Cl2N3O3/c16-10-5-3-6-11(17)12(10)14(22)20-15(13(18)21)23-8-9-4-1-2-7-19-9/h1-7,15H,8H2,(H2,18,21)(H,20,22)
InChIKeyVIROEFVBTAEPCE-UHFFFAOYSA-N
XLogP2.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[3-(pyridin-2-ylamino)propyl]triazol-1-yl]propanoic acid
CID 122532708
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxy-3-pyridin-2-ylpropanoic acid
CID 88619765
2-[(2,6-dichlorobenzoyl)amino]-3-[4-[(pyridin-2-ylamino)methyl]phenyl]propanoic acid
CID 70312966

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide (CID 54394064) is N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide is NC(=O)C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccccn1.
What is the InChIKey of N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide?
The InChIKey is VIROEFVBTAEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c16-10-5-3-6-11(17)12(10)14(22)20-15(13(18)21)23-8-9-4-1-2-7-19-9/h1-7,15H,8H2,(H2,18,21)(H,20,22).
What are the key properties of N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide?
N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide has a molecular weight of 354.19 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-oxo-1-(pyridin-2-ylmethoxy)ethyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 54394064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).