N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

C14H11ClF3NO2 — CID 106686196

IUPACN-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H11ClF3NO2/c15-12-11(6-7-21-12)13(20)19(9-14(16,17)18)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyAYJPAJYCLFXALI-UHFFFAOYSA-N
MW317.69 g/mol
LogP4.14
Rot. Bonds4

About N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide

N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (PubChem CID 106686196) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
PubChem CID106686196
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC NameN-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H11ClF3NO2/c15-12-11(6-7-21-12)13(20)19(9-14(16,17)18)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyAYJPAJYCLFXALI-UHFFFAOYSA-N
XLogP4.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106683133
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N,N-dibenzylfuran-2-carboxamide
CID 762503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The IUPAC name of N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide (CID 106686196) is N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is O=C(c1ccoc1Cl)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
The InChIKey is AYJPAJYCLFXALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c15-12-11(6-7-21-12)13(20)19(9-14(16,17)18)8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide?
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide has a molecular weight of 317.69 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide is sourced from PubChem (CID 106686196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).