4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide

C10H10ClF3N2O — CID 82810971

IUPAC4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10ClF3N2O/c11-5-1-2-9(17)16-7-3-4-8(15-6-7)10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyPXZRXICDCAHIES-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.06
Rot. Bonds4

About 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide

4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide (PubChem CID 82810971) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
PubChem CID82810971
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10ClF3N2O/c11-5-1-2-9(17)16-7-3-4-8(15-6-7)10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17)
InChIKeyPXZRXICDCAHIES-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832
3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 56761469
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
CID 82817087
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The IUPAC name of 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide (CID 82810971) is 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide is O=C(CCCCl)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
The InChIKey is PXZRXICDCAHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-5-1-2-9(17)16-7-3-4-8(15-6-7)10(12,13)14/h3-4,6H,1-2,5H2,(H,16,17).
What are the key properties of 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide?
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide has a molecular weight of 266.65 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 82810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).