N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide

C14H19FN2O2 — CID 114758932

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CCN)CC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-12-3-2-10(8-11(12)15)13(18)17-9-14(4-5-14)6-7-16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18)
InChIKeyLTNWSFGVKFPYMY-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.69
Rot. Bonds6

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 114758932) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
PubChem CID114758932
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(CCN)CC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-12-3-2-10(8-11(12)15)13(18)17-9-14(4-5-14)6-7-16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18)
InChIKeyLTNWSFGVKFPYMY-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 114758801
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide (CID 114758932) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC2(CCN)CC2)cc1F.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is LTNWSFGVKFPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-12-3-2-10(8-11(12)15)13(18)17-9-14(4-5-14)6-7-16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 114758932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).