N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide

C15H13ClF3N3O — CID 113035471

IUPACN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C15H13ClF3N3O/c1-2-14(23)22-13-6-4-10(8-20-13)21-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,21H,2H2,1H3,(H,20,22,23)
InChIKeyQCBZBLMCGBTORU-UHFFFAOYSA-N
MW343.74 g/mol
LogP4.85
Rot. Bonds4

About N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide (PubChem CID 113035471) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
PubChem CID113035471
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C15H13ClF3N3O/c1-2-14(23)22-13-6-4-10(8-20-13)21-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,21H,2H2,1H3,(H,20,22,23)
InChIKeyQCBZBLMCGBTORU-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide (CID 113035471) is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide?
The InChIKey is QCBZBLMCGBTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-2-14(23)22-13-6-4-10(8-20-13)21-12-7-9(15(17,18)19)3-5-11(12)16/h3-8,21H,2H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide?
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide has a molecular weight of 343.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide is sourced from PubChem (CID 113035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).