N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide

C11H14F2N2O3 — CID 119383172

IUPACN-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN)cc1OC(F)F
InChIInChI=1S/C11H14F2N2O3/c1-17-8-3-2-7(10(16)15-5-4-14)6-9(8)18-11(12)13/h2-3,6,11H,4-5,14H2,1H3,(H,15,16)
InChIKeyLAAHOKMADUSNFR-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.99
Rot. Bonds6

About N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide

N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 119383172) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID119383172
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC NameN-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN)cc1OC(F)F
InChIInChI=1S/C11H14F2N2O3/c1-17-8-3-2-7(10(16)15-5-4-14)6-9(8)18-11(12)13/h2-3,6,11H,4-5,14H2,1H3,(H,15,16)
InChIKeyLAAHOKMADUSNFR-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
2-[2-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241438
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide (CID 119383172) is N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)NCCN)cc1OC(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is LAAHOKMADUSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-17-8-3-2-7(10(16)15-5-4-14)6-9(8)18-11(12)13/h2-3,6,11H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide?
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 260.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 119383172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).