2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C20H16ClFN2O4 — CID 9229573

IUPAC2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16ClFN2O4/c21-16-10-13(7-8-17(16)22)28-12-19(25)24-18-6-2-1-5-15(18)20(26)23-11-14-4-3-9-27-14/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyIGXQBIDGJOIVAQ-UHFFFAOYSA-N
MW402.81 g/mol
LogP4.02
Rot. Bonds7

About 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 9229573) has the molecular formula C20H16ClFN2O4 and a molecular weight of 402.81 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID9229573
Molecular FormulaC20H16ClFN2O4
Molecular Weight402.81 g/mol
Exact Mass402.08
IUPAC Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16ClFN2O4/c21-16-10-13(7-8-17(16)22)28-12-19(25)24-18-6-2-1-5-15(18)20(26)23-11-14-4-3-9-27-14/h1-10H,11-12H2,(H,23,26)(H,24,25)
InChIKeyIGXQBIDGJOIVAQ-UHFFFAOYSA-N
XLogP4.02
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9319749
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2-chloro-4-fluoro-N-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]benzamide
CID 55759596
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 9229573) is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IGXQBIDGJOIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4/c21-16-10-13(7-8-17(16)22)28-12-19(25)24-18-6-2-1-5-15(18)20(26)23-11-14-4-3-9-27-14/h1-10H,11-12H2,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 402.81 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 9229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).