N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide

C17H17ClF2N2O2 — CID 172812105

IUPACN-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccncc2)cc(Cl)c1OCC(F)F
InChIInChI=1S/C17H17ClF2N2O2/c1-10-7-13(8-14(18)16(10)24-9-15(19)20)11(2)22-17(23)12-3-5-21-6-4-12/h3-8,11,15H,9H2,1-2H3,(H,22,23)
InChIKeySHWXZWIJFYLMEJ-UHFFFAOYSA-N
MW354.78 g/mol
LogP4.18
Rot. Bonds6

About N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide

N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide (PubChem CID 172812105) has the molecular formula C17H17ClF2N2O2 and a molecular weight of 354.78 g/mol. Its IUPAC name is N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide
PubChem CID172812105
Molecular FormulaC17H17ClF2N2O2
Molecular Weight354.78 g/mol
Exact Mass354.09
IUPAC NameN-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccncc2)cc(Cl)c1OCC(F)F
InChIInChI=1S/C17H17ClF2N2O2/c1-10-7-13(8-14(18)16(10)24-9-15(19)20)11(2)22-17(23)12-3-5-21-6-4-12/h3-8,11,15H,9H2,1-2H3,(H,22,23)
InChIKeySHWXZWIJFYLMEJ-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427038
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426753
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
2-methylpropan-2-amine;N-[1-[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 162621501
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide (CID 172812105) is N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(C)NC(=O)c2ccncc2)cc(Cl)c1OCC(F)F.
What is the InChIKey of N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is SHWXZWIJFYLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O2/c1-10-7-13(8-14(18)16(10)24-9-15(19)20)11(2)22-17(23)12-3-5-21-6-4-12/h3-8,11,15H,9H2,1-2H3,(H,22,23).
What are the key properties of N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide?
N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 354.78 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 172812105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).