N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide

C22H18ClFN2O4 — CID 155948994

IUPACN-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
SMILESNC(=O)COc1cccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN2O4/c23-15-4-9-20(30-17-7-5-16(24)6-8-17)19(11-15)22(28)26-12-14-2-1-3-18(10-14)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyXAQCXBNGZIYBTP-UHFFFAOYSA-N
MW428.85 g/mol
LogP4.07
Rot. Bonds8

About N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide

N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide (PubChem CID 155948994) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
PubChem CID155948994
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC NameN-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
SMILESNC(=O)COc1cccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)c1
InChIInChI=1S/C22H18ClFN2O4/c23-15-4-9-20(30-17-7-5-16(24)6-8-17)19(11-15)22(28)26-12-14-2-1-3-18(10-14)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyXAQCXBNGZIYBTP-UHFFFAOYSA-N
XLogP4.07
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]-2-fluorobenzoic acid
CID 58905326
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 143125922
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
methyl 4-[[[5-(3-chlorophenyl)-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 154628595
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
2-[3-[[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111760760
2-[3-[[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111763596

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The IUPAC name of N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide (CID 155948994) is N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide.
What is the SMILES notation for N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The canonical SMILES for N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide is NC(=O)COc1cccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The InChIKey is XAQCXBNGZIYBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c23-15-4-9-20(30-17-7-5-16(24)6-8-17)19(11-15)22(28)26-12-14-2-1-3-18(10-14)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28).
What are the key properties of N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide has a molecular weight of 428.85 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide is sourced from PubChem (CID 155948994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).