N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide

C15H11Cl2FN2O3 — CID 18155447

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-6-12(17)13(18)5-10(11)15(22)20-8-2-1-3-9(4-8)23-7-14(19)21/h1-6H,7H2,(H2,19,21)(H,20,22)
InChIKeyIBKDEPGFKGMEFM-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.25
Rot. Bonds5

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide (PubChem CID 18155447) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
PubChem CID18155447
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-6-12(17)13(18)5-10(11)15(22)20-8-2-1-3-9(4-8)23-7-14(19)21/h1-6H,7H2,(H2,19,21)(H,20,22)
InChIKeyIBKDEPGFKGMEFM-UHFFFAOYSA-N
XLogP3.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide
CID 136541201
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 18290394
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
CID 59654625

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide (CID 18155447) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide is NC(=O)COc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide?
The InChIKey is IBKDEPGFKGMEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c16-11-6-12(17)13(18)5-10(11)15(22)20-8-2-1-3-9(4-8)23-7-14(19)21/h1-6H,7H2,(H2,19,21)(H,20,22).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide has a molecular weight of 357.17 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide is sourced from PubChem (CID 18155447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).