N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide

C19H19F2N5O — CID 17463928

IUPACN-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N5O/c1-13(14-3-6-16(7-4-14)26-12-22-11-23-26)25(2)10-19(27)24-15-5-8-17(20)18(21)9-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)
InChIKeyUZTCSTTZADVDAN-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.18
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide (PubChem CID 17463928) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
PubChem CID17463928
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N5O/c1-13(14-3-6-16(7-4-14)26-12-22-11-23-26)25(2)10-19(27)24-15-5-8-17(20)18(21)9-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)
InChIKeyUZTCSTTZADVDAN-UHFFFAOYSA-N
XLogP3.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide (CID 17463928) is N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide is CC(c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide?
The InChIKey is UZTCSTTZADVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-13(14-3-6-16(7-4-14)26-12-22-11-23-26)25(2)10-19(27)24-15-5-8-17(20)18(21)9-15/h3-9,11-13H,10H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide is sourced from PubChem (CID 17463928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).