N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide

C27H28FN3O4 — CID 3211542

IUPACN-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccccc2F)c1
InChIInChI=1S/C27H28FN3O4/c1-18-8-6-11-20(16-18)31(24(32)17-29-26(33)23-14-7-15-35-23)25(21-12-4-5-13-22(21)28)27(34)30-19-9-2-3-10-19/h4-8,11-16,19,25H,2-3,9-10,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyUFAJOSPKHGQQOZ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.29
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211542) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID3211542
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccccc2F)c1
InChIInChI=1S/C27H28FN3O4/c1-18-8-6-11-20(16-18)31(24(32)17-29-26(33)23-14-7-15-35-23)25(21-12-4-5-13-22(21)28)27(34)30-19-9-2-3-10-19/h4-8,11-16,19,25H,2-3,9-10,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyUFAJOSPKHGQQOZ-UHFFFAOYSA-N
XLogP4.29
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211721
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389
N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 1469234
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211386
N-[2-(3-chloro-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211384
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3196663
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211839
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3613014
N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211398
N-[2-[1,3-benzodioxol-5-yl-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 4988120
N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 40624646
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211542) is N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccccc2F)c1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is UFAJOSPKHGQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-18-8-6-11-20(16-18)31(24(32)17-29-26(33)23-14-7-15-35-23)25(21-12-4-5-13-22(21)28)27(34)30-19-9-2-3-10-19/h4-8,11-16,19,25H,2-3,9-10,17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).