N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C22H20BrClFNO3 — CID 19447013

IUPACN-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C22H20BrClFNO3/c1-12(2)16-10-17(24)13(3)8-21(16)28-11-15-5-7-20(29-15)22(27)26-19-6-4-14(23)9-18(19)25/h4-10,12H,11H2,1-3H3,(H,26,27)
InChIKeyHVOYOKJNYOWVAX-UHFFFAOYSA-N
MW480.76 g/mol
LogP7.10
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19447013) has the molecular formula C22H20BrClFNO3 and a molecular weight of 480.76 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19447013
Molecular FormulaC22H20BrClFNO3
Molecular Weight480.76 g/mol
Exact Mass479.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C22H20BrClFNO3/c1-12(2)16-10-17(24)13(3)8-21(16)28-11-15-5-7-20(29-15)22(27)26-19-6-4-14(23)9-18(19)25/h4-10,12H,11H2,1-3H3,(H,26,27)
InChIKeyHVOYOKJNYOWVAX-UHFFFAOYSA-N
XLogP7.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19446987
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19447024
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19447010
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19447050
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylate
CID 7015019
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19448655
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19448690
N-[4-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19448686
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337948

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19447013) is N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c(C(C)C)cc1Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is HVOYOKJNYOWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClFNO3/c1-12(2)16-10-17(24)13(3)8-21(16)28-11-15-5-7-20(29-15)22(27)26-19-6-4-14(23)9-18(19)25/h4-10,12H,11H2,1-3H3,(H,26,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 480.76 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19447013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).