2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C12H12FNO3 — CID 60792836

IUPAC2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyAFKAESSRDUTNAQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.16
Rot. Bonds4

About 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60792836) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60792836
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyAFKAESSRDUTNAQ-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
2-[[4-(4-fluorophenyl)sulfanylphenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977365
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
2-[(4-bromo-3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185191
2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136072
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60792836) is 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AFKAESSRDUTNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).