N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C19H19BrClF3N4O — CID 27207880

IUPACN-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H19BrClF3N4O/c1-12-8-14(20)2-3-16(12)26-17(29)11-27-4-6-28(7-5-27)18-15(21)9-13(10-25-18)19(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,26,29)
InChIKeyNQDDDTATGJRUJP-UHFFFAOYSA-N
MW491.74 g/mol
LogP4.59
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 27207880) has the molecular formula C19H19BrClF3N4O and a molecular weight of 491.74 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID27207880
Molecular FormulaC19H19BrClF3N4O
Molecular Weight491.74 g/mol
Exact Mass490.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H19BrClF3N4O/c1-12-8-14(20)2-3-16(12)26-17(29)11-27-4-6-28(7-5-27)18-15(21)9-13(10-25-18)19(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,26,29)
InChIKeyNQDDDTATGJRUJP-UHFFFAOYSA-N
XLogP4.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.74
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(Trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037649
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-bromo-phenyl)-amide
CID 21037672
N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-(4-bromo-2-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 5020717
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 155516494
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 155563301
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3245286
2-(4-benzylpiperazin-1-yl)-N-(5-chloropyridin-2-yl)acetamide
CID 971239
N-(4-bromo-3-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 988622
N-(2-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4883329
N-(2,6-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288403

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 27207880) is N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is Cc1cc(Br)ccc1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is NQDDDTATGJRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClF3N4O/c1-12-8-14(20)2-3-16(12)26-17(29)11-27-4-6-28(7-5-27)18-15(21)9-13(10-25-18)19(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,26,29).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 491.74 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27207880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).