N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide

C14H14FN7O — CID 94755834

IUPACN-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cn1cnnn1)c1cccc(F)c1
InChIInChI=1S/C14H14FN7O/c1-21-6-5-16-14(21)13(10-3-2-4-11(15)7-10)18-12(23)8-22-9-17-19-20-22/h2-7,9,13H,8H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyYREWQIGFXPJYKZ-ZDUSSCGKSA-N
MW315.31 g/mol
LogP0.45
Rot. Bonds5

About N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide

N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 94755834) has the molecular formula C14H14FN7O and a molecular weight of 315.31 g/mol. Its IUPAC name is N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID94755834
Molecular FormulaC14H14FN7O
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC NameN-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1ccnc1[C@@H](NC(=O)Cn1cnnn1)c1cccc(F)c1
InChIInChI=1S/C14H14FN7O/c1-21-6-5-16-14(21)13(10-3-2-4-11(15)7-10)18-12(23)8-22-9-17-19-20-22/h2-7,9,13H,8H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyYREWQIGFXPJYKZ-ZDUSSCGKSA-N
XLogP0.45
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 46528259
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46698449
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (CID 94755834) is N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is Cn1ccnc1[C@@H](NC(=O)Cn1cnnn1)c1cccc(F)c1.
What is the InChIKey of N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is YREWQIGFXPJYKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FN7O/c1-21-6-5-16-14(21)13(10-3-2-4-11(15)7-10)18-12(23)8-22-9-17-19-20-22/h2-7,9,13H,8H2,1H3,(H,18,23)/t13-/m0/s1.
What are the key properties of N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 315.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 94755834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).