1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

C12H15FN2O2 — CID 115189779

IUPAC1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)C1(N)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-10-3-2-9(13)6-8(10)7-15-11(16)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyKPSIJMIIKNHVAQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.94
Rot. Bonds4

About 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide

1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115189779) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115189779
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)C1(N)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-10-3-2-9(13)6-8(10)7-15-11(16)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyKPSIJMIIKNHVAQ-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
cis-(1S,3R)-3-[(5-fluoro-2-methoxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066120
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 115189779) is 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(F)cc1CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KPSIJMIIKNHVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-10-3-2-9(13)6-8(10)7-15-11(16)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).