N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide

C14H18F2N2O — CID 114758838

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(CCN)CC2)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-2-3-10(15)11(12(9)16)13(19)18-8-14(4-5-14)6-7-17/h2-3H,4-8,17H2,1H3,(H,18,19)
InChIKeyKXCGBVMFWVFUTC-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 114758838) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
PubChem CID114758838
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(CCN)CC2)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-2-3-10(15)11(12(9)16)13(19)18-8-14(4-5-14)6-7-17/h2-3H,4-8,17H2,1H3,(H,18,19)
InChIKeyKXCGBVMFWVFUTC-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6-trifluoro-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]benzamide
CID 86816385
2,6-difluoro-3-nitro-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762271
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
2,6-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-nitrobenzamide
CID 114751387
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-[(1-ethylcyclobutyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 103741643
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide (CID 114758838) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2(CCN)CC2)c1F.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is KXCGBVMFWVFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-2-3-10(15)11(12(9)16)13(19)18-8-14(4-5-14)6-7-17/h2-3H,4-8,17H2,1H3,(H,18,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 114758838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).