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

C27H20ClF3N2O2 — CID 142090091

IUPACN-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCc2ccccn2)c(Cl)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H20ClF3N2O2/c28-24-17-21(12-13-25(24)35-16-14-20-5-3-4-15-32-20)33-26(34)23-7-2-1-6-22(23)18-8-10-19(11-9-18)27(29,30)31/h1-13,15,17H,14,16H2,(H,33,34)
InChIKeyHKVPIPAPTHBHJJ-UHFFFAOYSA-N
MW496.92 g/mol
LogP7.29
Rot. Bonds7

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

N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 142090091) has the molecular formula C27H20ClF3N2O2 and a molecular weight of 496.92 g/mol. Its IUPAC name is N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID142090091
Molecular FormulaC27H20ClF3N2O2
Molecular Weight496.92 g/mol
Exact Mass496.12
IUPAC NameN-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCc2ccccn2)c(Cl)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H20ClF3N2O2/c28-24-17-21(12-13-25(24)35-16-14-20-5-3-4-15-32-20)33-26(34)23-7-2-1-6-22(23)18-8-10-19(11-9-18)27(29,30)31/h1-13,15,17H,14,16H2,(H,33,34)
InChIKeyHKVPIPAPTHBHJJ-UHFFFAOYSA-N
XLogP7.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.92
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 23296203
4-[2-[[4-(2-pyridin-2-ylethylamino)phenyl]carbamoyl]phenyl]benzoic acid
CID 142663018
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
2-benzyl-3,4-dihydro-1H-isoquinolin-6-amine;N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 171930822
acetyloxy 2-[2-nitro-N-(2-pyridin-2-ylethyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]butaneperoxoate
CID 91352639
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
CID 141088419
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 142090091) is N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(OCCc2ccccn2)c(Cl)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HKVPIPAPTHBHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF3N2O2/c28-24-17-21(12-13-25(24)35-16-14-20-5-3-4-15-32-20)33-26(34)23-7-2-1-6-22(23)18-8-10-19(11-9-18)27(29,30)31/h1-13,15,17H,14,16H2,(H,33,34).
What are the key properties of N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 496.92 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142090091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).