2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H10FN5O3 — CID 60934319

IUPAC2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H10FN5O3/c13-9-2-1-6(18-5-14-16-17-18)3-10(9)15-11(19)7-4-8(7)12(20)21/h1-3,5,7-8H,4H2,(H,15,19)(H,20,21)
InChIKeyJWLQNRGWIQWADH-UHFFFAOYSA-N
MW291.24 g/mol
LogP0.46
Rot. Bonds4

About 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60934319) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60934319
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC Name2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H10FN5O3/c13-9-2-1-6(18-5-14-16-17-18)3-10(9)15-11(19)7-4-8(7)12(20)21/h1-3,5,7-8H,4H2,(H,15,19)(H,20,21)
InChIKeyJWLQNRGWIQWADH-UHFFFAOYSA-N
XLogP0.46
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55811905
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide
CID 95624764
2-(1-azaspiro[3.5]nonan-1-yl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 166276211
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60934319) is 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JWLQNRGWIQWADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c13-9-2-1-6(18-5-14-16-17-18)3-10(9)15-11(19)7-4-8(7)12(20)21/h1-3,5,7-8H,4H2,(H,15,19)(H,20,21).
What are the key properties of 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 291.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60934319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).