N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide

C13H16F2N6O — CID 71862481

IUPACN-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide
SMILESCCCn1nnnc1CNc1cc(F)c(F)cc1NC(C)=O
InChIInChI=1S/C13H16F2N6O/c1-3-4-21-13(18-19-20-21)7-16-11-5-9(14)10(15)6-12(11)17-8(2)22/h5-6,16H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyNNMZJCGEKCXFPK-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.93
Rot. Bonds6

About N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide

N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 71862481) has the molecular formula C13H16F2N6O and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide
PubChem CID71862481
Molecular FormulaC13H16F2N6O
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC NameN-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide
SMILESCCCn1nnnc1CNc1cc(F)c(F)cc1NC(C)=O
InChIInChI=1S/C13H16F2N6O/c1-3-4-21-13(18-19-20-21)7-16-11-5-9(14)10(15)6-12(11)17-8(2)22/h5-6,16H,3-4,7H2,1-2H3,(H,17,22)
InChIKeyNNMZJCGEKCXFPK-UHFFFAOYSA-N
XLogP1.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1H-tetrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 2918760
3-(1-cyclopentyltetrazol-5-yl)-1H-quinoxalin-2-one
CID 136153822
N-(4-fluorophenyl)-2-(5-methyl-1H-tetraazol-1-yl)acetamide
CID 685547
Cambridge id 6816388
CID 829145
2-ethyl-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)butanamide
CID 16799271
1-(tert-butyl)-3-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566072
3-(1-butyltetrazol-5-yl)-1H-quinoxalin-2-one
CID 136153817
2-(5-Methyl-1H-tetrazol-1-YL)-N-phenylacetamide
CID 699135
(Z)-N-((1-phenyl-1H-tetrazol-5-yl)methyl)but-2-enamide
CID 18565655
N-((1-phenyl-1H-tetrazol-5-yl)methyl)acetamide
CID 44007454
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide
CID 15943513
1-(tert-butyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 16799325

Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide (CID 71862481) is N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide is CCCn1nnnc1CNc1cc(F)c(F)cc1NC(C)=O.
What is the InChIKey of N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is NNMZJCGEKCXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6O/c1-3-4-21-13(18-19-20-21)7-16-11-5-9(14)10(15)6-12(11)17-8(2)22/h5-6,16H,3-4,7H2,1-2H3,(H,17,22).
What are the key properties of N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide?
N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-[(1-propyltetrazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71862481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).