5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide

C24H18BrF7N2O4 — CID 24759723

IUPAC5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Br)o2)cc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1
InChIInChI=1S/C24H18BrF7N2O4/c1-11-6-14(22(26,23(27,28)29)24(30,31)32)7-12(2)19(11)34-20(35)13-8-15(10-16(9-13)37-3)33-21(36)17-4-5-18(25)38-17/h4-10H,1-3H3,(H,33,36)(H,34,35)
InChIKeyVFJSBAIUHBHEKQ-UHFFFAOYSA-N
MW611.31 g/mol
LogP7.46
Rot. Bonds6

About 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide

5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide (PubChem CID 24759723) has the molecular formula C24H18BrF7N2O4 and a molecular weight of 611.31 g/mol. Its IUPAC name is 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide
PubChem CID24759723
Molecular FormulaC24H18BrF7N2O4
Molecular Weight611.31 g/mol
Exact Mass610.03
IUPAC Name5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Br)o2)cc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1
InChIInChI=1S/C24H18BrF7N2O4/c1-11-6-14(22(26,23(27,28)29)24(30,31)32)7-12(2)19(11)34-20(35)13-8-15(10-16(9-13)37-3)33-21(36)17-4-5-18(25)38-17/h4-10H,1-3H3,(H,33,36)(H,34,35)
InChIKeyVFJSBAIUHBHEKQ-UHFFFAOYSA-N
XLogP7.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.31
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide with MolForge

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Related Compounds

3-[(3-fluorobenzoyl)amino]-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 42641226
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CID 17128006
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
2,2,2-trichloroethyl N-[3-cyano-5-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]phenyl]carbamate
CID 88864530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide (CID 24759723) is 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(Br)o2)cc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1.
What is the InChIKey of 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide?
The InChIKey is VFJSBAIUHBHEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrF7N2O4/c1-11-6-14(22(26,23(27,28)29)24(30,31)32)7-12(2)19(11)34-20(35)13-8-15(10-16(9-13)37-3)33-21(36)17-4-5-18(25)38-17/h4-10H,1-3H3,(H,33,36)(H,34,35).
What are the key properties of 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide?
5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide has a molecular weight of 611.31 g/mol, XLogP of 7.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl]-5-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 24759723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).