N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide

C15H10Cl2F3N3O2 — CID 149149605

IUPACN-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H10Cl2F3N3O2/c1-7-2-4-8(5-3-7)13(24)23-12-10(6-9(16)11(17)22-12)21-14(25)15(18,19)20/h2-6H,1H3,(H,21,25)(H,22,23,24)
InChIKeyXTVVMRKQUWSHFE-UHFFFAOYSA-N
MW392.16 g/mol
LogP4.45
Rot. Bonds3

About N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide

N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide (PubChem CID 149149605) has the molecular formula C15H10Cl2F3N3O2 and a molecular weight of 392.16 g/mol. Its IUPAC name is N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide
PubChem CID149149605
Molecular FormulaC15H10Cl2F3N3O2
Molecular Weight392.16 g/mol
Exact Mass391.01
IUPAC NameN-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H10Cl2F3N3O2/c1-7-2-4-8(5-3-7)13(24)23-12-10(6-9(16)11(17)22-12)21-14(25)15(18,19)20/h2-6H,1H3,(H,21,25)(H,22,23,24)
InChIKeyXTVVMRKQUWSHFE-UHFFFAOYSA-N
XLogP4.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide
CID 149149167
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209648
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide (CID 149149605) is N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is XTVVMRKQUWSHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O2/c1-7-2-4-8(5-3-7)13(24)23-12-10(6-9(16)11(17)22-12)21-14(25)15(18,19)20/h2-6H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide?
N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 392.16 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 149149605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).