N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide

C16H14ClF3N2O — CID 141052646

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O/c17-14-8-7-12(10-13(14)16(18,19)20)22-15(23)6-3-5-11-4-1-2-9-21-11/h1-2,4,7-10H,3,5-6H2,(H,22,23)
InChIKeyAOSQNPZASHJUCR-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.72
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide (PubChem CID 141052646) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
PubChem CID141052646
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O/c17-14-8-7-12(10-13(14)16(18,19)20)22-15(23)6-3-5-11-4-1-2-9-21-11/h1-2,4,7-10H,3,5-6H2,(H,22,23)
InChIKeyAOSQNPZASHJUCR-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629
N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
CID 71917349
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976751
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide
CID 110625480
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N'-hydroxyhexanediamide
CID 166633079
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide (CID 141052646) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide?
The InChIKey is AOSQNPZASHJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-14-8-7-12(10-13(14)16(18,19)20)22-15(23)6-3-5-11-4-1-2-9-21-11/h1-2,4,7-10H,3,5-6H2,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide has a molecular weight of 342.75 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 141052646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).