N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C14H17FN4O2 — CID 31338086

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1F
InChIInChI=1S/C14H17FN4O2/c1-10(11-3-4-13(21-2)12(15)7-11)18-14(20)5-6-19-9-16-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyDCSDIQFELKDJEB-SNVBAGLBSA-N
MW292.31 g/mol
LogP1.69
Rot. Bonds6

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31338086) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31338086
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1F
InChIInChI=1S/C14H17FN4O2/c1-10(11-3-4-13(21-2)12(15)7-11)18-14(20)5-6-19-9-16-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyDCSDIQFELKDJEB-SNVBAGLBSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxybenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1485773
N-[3-(difluoromethoxy)benzyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1482364
N-[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 3745344
(2S)-N-[(1R)-1-[4-(cyclobutylmethoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethyl]-2-phenylpropanamide
CID 168291461
1-[7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 3146675
7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3774100
1-N,1-N-diethyl-2-N-[(4-methoxyphenyl)methyl]-3-(1,2,4-triazol-1-yl)propane-1,2-diamine
CID 51039755
1-((4-methoxyphenyl)methyl)-1H-1,2,4-triazol-3-amine
CID 60911456
7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 645489
7-[4-(Difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4174928
N-(3-methoxybenzyl)-3-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190565
rac-2-((1H-1,2,4-triazol-1-yl)methyl)-N-(1-(3-fluoro-4-methoxyphenyl)ethyl)benzamide
CID 46968847

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 31338086) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DCSDIQFELKDJEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-10(11-3-4-13(21-2)12(15)7-11)18-14(20)5-6-19-9-16-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31338086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).