1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide

C12H12FN3O — CID 82016106

IUPAC1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C12H12FN3O/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(7-15)3-4-12/h1-2,5H,3-4,7,15H2,(H,16,17)
InChIKeyKQDVQKVMLQOHQA-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.37
Rot. Bonds3

About 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 82016106) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID82016106
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C12H12FN3O/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(7-15)3-4-12/h1-2,5H,3-4,7,15H2,(H,16,17)
InChIKeyKQDVQKVMLQOHQA-UHFFFAOYSA-N
XLogP1.37
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide (CID 82016106) is 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KQDVQKVMLQOHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-1-2-10(8(5-9)6-14)16-11(17)12(7-15)3-4-12/h1-2,5H,3-4,7,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 82016106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).