N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

C24H20ClFN4O3 — CID 19458998

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C24H20ClFN4O3/c25-21-11-18(26)6-4-17(21)12-30-14-27-24(29-30)28-23(31)22-9-8-20(33-22)13-32-19-7-5-15-2-1-3-16(15)10-19/h4-11,14H,1-3,12-13H2,(H,28,29,31)
InChIKeyMJMDEENOBXHXQW-UHFFFAOYSA-N
MW466.90 g/mol
LogP5.03
Rot. Bonds7

About N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 19458998) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
PubChem CID19458998
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C24H20ClFN4O3/c25-21-11-18(26)6-4-17(21)12-30-14-27-24(29-30)28-23(31)22-9-8-20(33-22)13-32-19-7-5-15-2-1-3-16(15)10-19/h4-11,14H,1-3,12-13H2,(H,28,29,31)
InChIKeyMJMDEENOBXHXQW-UHFFFAOYSA-N
XLogP5.03
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19459011
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463364
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453287
5-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19465664
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448653
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461476
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19453022
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458922
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468086
5-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19465673
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486544

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 19458998) is N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The InChIKey is MJMDEENOBXHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c25-21-11-18(26)6-4-17(21)12-30-14-27-24(29-30)28-23(31)22-9-8-20(33-22)13-32-19-7-5-15-2-1-3-16(15)10-19/h4-11,14H,1-3,12-13H2,(H,28,29,31).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19458998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).