N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide

C14H16N2O2 — CID 113313648

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
SMILESNCC1(CNC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C14H16N2O2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17)
InChIKeyBKGDJHJNWYCBRF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 113313648) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID113313648
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
SMILESNCC1(CNC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C14H16N2O2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17)
InChIKeyBKGDJHJNWYCBRF-UHFFFAOYSA-N
XLogP1.90
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide (CID 113313648) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide is NCC1(CNC(=O)c2coc3ccccc23)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is BKGDJHJNWYCBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 113313648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).