N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide

C13H13FN6O — CID 29214978

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C13H13FN6O/c14-10-1-2-12-9(5-10)6-11(17-12)7-15-13(21)3-4-20-8-16-18-19-20/h1-2,5-6,8,17H,3-4,7H2,(H,15,21)
InChIKeyAOPYCSKOEFDRCN-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.00
Rot. Bonds5

About N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 29214978) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID29214978
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C13H13FN6O/c14-10-1-2-12-9(5-10)6-11(17-12)7-15-13(21)3-4-20-8-16-18-19-20/h1-2,5-6,8,17H,3-4,7H2,(H,15,21)
InChIKeyAOPYCSKOEFDRCN-UHFFFAOYSA-N
XLogP1.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-N-(1-(4-(4-fluorobenzyl)-5-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16114012
N-((R)-1-(4-(4-fluorobenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16204021
2-amino-N-((R)-1-(5-benzyl-4-hexyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204226
(R)-methyl 3-(5-(1-(2-amino-2-methylpropanamido)-2-(1H-indol-3-yl)ethyl)-1H-tetrazol-1-yl)propanoate
CID 44434018
N-(5,6-difluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 164554050
1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 44522330
N-[5-(1H-indol-4-yl)-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 118736789
6-fluoro-2-(4-fluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 145974563
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclobutane-1-carboxamide
CID 156815772
N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 162444830
N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}-3-(4H-1,2,4-triazol-4-yl)propanamide
CID 56868737
3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440313

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide (CID 29214978) is N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NCc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is AOPYCSKOEFDRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c14-10-1-2-12-9(5-10)6-11(17-12)7-15-13(21)3-4-20-8-16-18-19-20/h1-2,5-6,8,17H,3-4,7H2,(H,15,21).
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 288.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 29214978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).