N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide

C20H16ClF2NO3 — CID 71864154

IUPACN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2F)o1)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2NO3/c1-11(19(25)18-13(21)6-4-8-15(18)23)24-20(26)17-10-9-16(27-17)12-5-2-3-7-14(12)22/h2-11,19,25H,1H3,(H,24,26)
InChIKeyROALWYGWXDPPHW-UHFFFAOYSA-N
MW391.80 g/mol
LogP4.73
Rot. Bonds5

About N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 71864154) has the molecular formula C20H16ClF2NO3 and a molecular weight of 391.80 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID71864154
Molecular FormulaC20H16ClF2NO3
Molecular Weight391.80 g/mol
Exact Mass391.08
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2F)o1)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2NO3/c1-11(19(25)18-13(21)6-4-8-15(18)23)24-20(26)17-10-9-16(27-17)12-5-2-3-7-14(12)22/h2-11,19,25H,1H3,(H,24,26)
InChIKeyROALWYGWXDPPHW-UHFFFAOYSA-N
XLogP4.73
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941
4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
CID 96525554
N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97004815
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119996463
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
N-[(1S,2R)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 96570446
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-methylpyrazine-2-carboxamide
CID 71980504
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 71864154) is N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide is CC(NC(=O)c1ccc(-c2ccccc2F)o1)C(O)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is ROALWYGWXDPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO3/c1-11(19(25)18-13(21)6-4-8-15(18)23)24-20(26)17-10-9-16(27-17)12-5-2-3-7-14(12)22/h2-11,19,25H,1H3,(H,24,26).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 391.80 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 71864154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).