(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H16ClF3N2O4 — CID 51958692

IUPAC(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c(C(F)(F)F)c1)c1ccoc1
InChIInChI=1S/C22H16ClF3N2O4/c23-15-1-4-19-13(8-15)7-14(11-32-19)21(30)28-18-3-2-16(9-17(18)22(24,25)26)27-20(29)12-5-6-31-10-12/h1-6,8-10,14H,7,11H2,(H,27,29)(H,28,30)/t14-/m1/s1
InChIKeyOWUHAJAZDXGPII-CQSZACIVSA-N
MW464.83 g/mol
LogP5.39
Rot. Bonds4

About (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 51958692) has the molecular formula C22H16ClF3N2O4 and a molecular weight of 464.83 g/mol. Its IUPAC name is (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID51958692
Molecular FormulaC22H16ClF3N2O4
Molecular Weight464.83 g/mol
Exact Mass464.08
IUPAC Name(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c(C(F)(F)F)c1)c1ccoc1
InChIInChI=1S/C22H16ClF3N2O4/c23-15-1-4-19-13(8-15)7-14(11-32-19)21(30)28-18-3-2-16(9-17(18)22(24,25)26)27-20(29)12-5-6-31-10-12/h1-6,8-10,14H,7,11H2,(H,27,29)(H,28,30)/t14-/m1/s1
InChIKeyOWUHAJAZDXGPII-CQSZACIVSA-N
XLogP5.39
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.83
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
6-[(4-chloro-3-fluorobenzoyl)amino]-N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 165389743
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
6-[(4-chloro-3-fluorobenzoyl)amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 165389738
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 51958692) is (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c(C(F)(F)F)c1)c1ccoc1.
What is the InChIKey of (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OWUHAJAZDXGPII-CQSZACIVSA-N. The full InChI is InChI=1S/C22H16ClF3N2O4/c23-15-1-4-19-13(8-15)7-14(11-32-19)21(30)28-18-3-2-16(9-17(18)22(24,25)26)27-20(29)12-5-6-31-10-12/h1-6,8-10,14H,7,11H2,(H,27,29)(H,28,30)/t14-/m1/s1.
What are the key properties of (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 464.83 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 51958692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).