N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

C19H20ClN5O2 — CID 8761278

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-24(10-14-3-6-16(27-2)7-4-14)11-19(26)23-17-9-15(20)5-8-18(17)25-13-21-12-22-25/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)
InChIKeyFIBBJFPCBSJHIL-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.00
Rot. Bonds7

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8761278) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8761278
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1
InChIInChI=1S/C19H20ClN5O2/c1-24(10-14-3-6-16(27-2)7-4-14)11-19(26)23-17-9-15(20)5-8-18(17)25-13-21-12-22-25/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)
InChIKeyFIBBJFPCBSJHIL-UHFFFAOYSA-N
XLogP3.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(dimethylamino)phenyl]methyl-methylamino]acetamide
CID 40689971
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 27250200
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 46801652
N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401827
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18200362
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041428
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
2-[[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354398
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 8794748
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 41421726
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (CID 8761278) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is FIBBJFPCBSJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-24(10-14-3-6-16(27-2)7-4-14)11-19(26)23-17-9-15(20)5-8-18(17)25-13-21-12-22-25/h3-9,12-13H,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 385.86 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8761278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).