3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide

C19H17Cl2F3N4O2 — CID 27826541

IUPAC3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2F3N4O2/c20-14-3-1-2-12(8-14)18(30)26-11-16(29)27-4-6-28(7-5-27)17-15(21)9-13(10-25-17)19(22,23)24/h1-3,8-10H,4-7,11H2,(H,26,30)
InChIKeyYSINJZAZWMJLPR-UHFFFAOYSA-N
MW461.27 g/mol
LogP3.49
Rot. Bonds4

About 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide

3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 27826541) has the molecular formula C19H17Cl2F3N4O2 and a molecular weight of 461.27 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID27826541
Molecular FormulaC19H17Cl2F3N4O2
Molecular Weight461.27 g/mol
Exact Mass460.07
IUPAC Name3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2F3N4O2/c20-14-3-1-2-12(8-14)18(30)26-11-16(29)27-4-6-28(7-5-27)17-15(21)9-13(10-25-17)19(22,23)24/h1-3,8-10H,4-7,11H2,(H,26,30)
InChIKeyYSINJZAZWMJLPR-UHFFFAOYSA-N
XLogP3.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 27826647
N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589113
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
2-(2-acetylanilino)-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 37480568
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 24601931
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-(2,3-dichlorophenoxy)propan-1-one
CID 55770993
N-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55534638
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 27826541) is 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YSINJZAZWMJLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N4O2/c20-14-3-1-2-12(8-14)18(30)26-11-16(29)27-4-6-28(7-5-27)17-15(21)9-13(10-25-17)19(22,23)24/h1-3,8-10H,4-7,11H2,(H,26,30).
What are the key properties of 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 461.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 27826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).