N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

C12H17ClF2N2O4 — CID 119385630

IUPACN-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCN)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C12H16F2N2O4.ClH/c1-18-8-5-7(11(17)16-4-3-15)6-9(19-2)10(8)20-12(13)14;/h5-6,12H,3-4,15H2,1-2H3,(H,16,17);1H
InChIKeyIVAHPSPPDNIYFL-UHFFFAOYSA-N
MW326.73 g/mol
LogP1.42
Rot. Bonds7

About N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119385630) has the molecular formula C12H17ClF2N2O4 and a molecular weight of 326.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119385630
Molecular FormulaC12H17ClF2N2O4
Molecular Weight326.73 g/mol
Exact Mass326.08
IUPAC NameN-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCN)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C12H16F2N2O4.ClH/c1-18-8-5-7(11(17)16-4-3-15)6-9(19-2)10(8)20-12(13)14;/h5-6,12H,3-4,15H2,1-2H3,(H,16,17);1H
InChIKeyIVAHPSPPDNIYFL-UHFFFAOYSA-N
XLogP1.42
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119572146
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119609098
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (CID 119385630) is N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NCCN)cc(OC)c1OC(F)F.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is IVAHPSPPDNIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4.ClH/c1-18-8-5-7(11(17)16-4-3-15)6-9(19-2)10(8)20-12(13)14;/h5-6,12H,3-4,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 326.73 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119385630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).