3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide

C22H18ClFN2O4 — CID 33065215

IUPAC3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
SMILESNC(=O)COc1cccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1
InChIInChI=1S/C22H18ClFN2O4/c23-19-11-17(7-8-20(19)30-12-14-3-1-5-16(24)9-14)26-22(28)15-4-2-6-18(10-15)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyCIXREDDZWOSDON-UHFFFAOYSA-N
MW428.85 g/mol
LogP4.17
Rot. Bonds8

About 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide (PubChem CID 33065215) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
PubChem CID33065215
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
SMILESNC(=O)COc1cccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1
InChIInChI=1S/C22H18ClFN2O4/c23-19-11-17(7-8-20(19)30-12-14-3-1-5-16(24)9-14)26-22(28)15-4-2-6-18(10-15)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28)
InChIKeyCIXREDDZWOSDON-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide (CID 33065215) is 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide is NC(=O)COc1cccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide?
The InChIKey is CIXREDDZWOSDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c23-19-11-17(7-8-20(19)30-12-14-3-1-5-16(24)9-14)26-22(28)15-4-2-6-18(10-15)29-13-21(25)27/h1-11H,12-13H2,(H2,25,27)(H,26,28).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide has a molecular weight of 428.85 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide is sourced from PubChem (CID 33065215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).