N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C22H21FN2O5 — CID 42708664

IUPACN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(=O)c2ccco2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H21FN2O5/c1-28-18-12-15(13-19(14-18)29-2)21(26)24-9-10-25(17-7-5-16(23)6-8-17)22(27)20-4-3-11-30-20/h3-8,11-14H,9-10H2,1-2H3,(H,24,26)
InChIKeyDNJKEHWJKRJHQA-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide

N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 42708664) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID42708664
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC NameN-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(C(=O)c2ccco2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H21FN2O5/c1-28-18-12-15(13-19(14-18)29-2)21(26)24-9-10-25(17-7-5-16(23)6-8-17)22(27)20-4-3-11-30-20/h3-8,11-14H,9-10H2,1-2H3,(H,24,26)
InChIKeyDNJKEHWJKRJHQA-UHFFFAOYSA-N
XLogP3.51
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708667
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7979811
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 46045640
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 42708664) is N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide is COc1cc(OC)cc(C(=O)NCCN(C(=O)c2ccco2)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is DNJKEHWJKRJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-28-18-12-15(13-19(14-18)29-2)21(26)24-9-10-25(17-7-5-16(23)6-8-17)22(27)20-4-3-11-30-20/h3-8,11-14H,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 42708664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).