3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C13H10ClF3N2O2 — CID 66483339

IUPAC3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O2/c14-11-6-18-4-3-10(11)12(20)19(8-13(15,16)17)7-9-2-1-5-21-9/h1-6H,7-8H2
InChIKeyKIMRKVDBMLWQMC-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.53
Rot. Bonds4

About 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 66483339) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID66483339
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C13H10ClF3N2O2/c14-11-6-18-4-3-10(11)12(20)19(8-13(15,16)17)7-9-2-1-5-21-9/h1-6H,7-8H2
InChIKeyKIMRKVDBMLWQMC-UHFFFAOYSA-N
XLogP3.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86952009

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 66483339) is 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(c1ccncc1Cl)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is KIMRKVDBMLWQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c14-11-6-18-4-3-10(11)12(20)19(8-13(15,16)17)7-9-2-1-5-21-9/h1-6H,7-8H2.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 318.68 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).