N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide

C20H14ClF3N2O — CID 71010186

IUPACN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C20H14ClF3N2O/c1-12-8-9-25-11-17(12)19(27)26-15-5-2-13(3-6-15)16-10-14(20(22,23)24)4-7-18(16)21/h2-11H,1H3,(H,26,27)
InChIKeyMDNIBTJFBWCLFR-UHFFFAOYSA-N
MW390.79 g/mol
LogP5.98
Rot. Bonds3

About N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide

N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010186) has the molecular formula C20H14ClF3N2O and a molecular weight of 390.79 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID71010186
Molecular FormulaC20H14ClF3N2O
Molecular Weight390.79 g/mol
Exact Mass390.07
IUPAC NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C20H14ClF3N2O/c1-12-8-9-25-11-17(12)19(27)26-15-5-2-13(3-6-15)16-10-14(20(22,23)24)4-7-18(16)21/h2-11H,1H3,(H,26,27)
InChIKeyMDNIBTJFBWCLFR-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.79
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide (CID 71010186) is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is MDNIBTJFBWCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O/c1-12-8-9-25-11-17(12)19(27)26-15-5-2-13(3-6-15)16-10-14(20(22,23)24)4-7-18(16)21/h2-11H,1H3,(H,26,27).
What are the key properties of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide?
N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 390.79 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).