N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide

C22H18ClFN6O2 — CID 162746556

IUPACN-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc2nn(C)nc2c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
InChIInChI=1S/C22H18ClFN6O2/c1-13(31)30(16-6-7-18-19(12-16)28-29(2)27-18)20-11-15(8-9-25-20)26-21(32)10-14-4-3-5-17(24)22(14)23/h3-9,11-12H,10H2,1-2H3,(H,25,26,32)
InChIKeyNJCVBXBLLKZYKP-UHFFFAOYSA-N
MW452.88 g/mol
LogP4.02
Rot. Bonds5

About N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide

N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide (PubChem CID 162746556) has the molecular formula C22H18ClFN6O2 and a molecular weight of 452.88 g/mol. Its IUPAC name is N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
PubChem CID162746556
Molecular FormulaC22H18ClFN6O2
Molecular Weight452.88 g/mol
Exact Mass452.12
IUPAC NameN-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc2nn(C)nc2c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
InChIInChI=1S/C22H18ClFN6O2/c1-13(31)30(16-6-7-18-19(12-16)28-29(2)27-18)20-11-15(8-9-25-20)26-21(32)10-14-4-3-5-17(24)22(14)23/h3-9,11-12H,10H2,1-2H3,(H,25,26,32)
InChIKeyNJCVBXBLLKZYKP-UHFFFAOYSA-N
XLogP4.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
CID 162746743
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746899
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162428219
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide (CID 162746556) is N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide is CC(=O)N(c1ccc2nn(C)nc2c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1.
What is the InChIKey of N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?
The InChIKey is NJCVBXBLLKZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN6O2/c1-13(31)30(16-6-7-18-19(12-16)28-29(2)27-18)20-11-15(8-9-25-20)26-21(32)10-14-4-3-5-17(24)22(14)23/h3-9,11-12H,10H2,1-2H3,(H,25,26,32).
What are the key properties of N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide has a molecular weight of 452.88 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 162746556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).