N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide

C14H20F2N2O4 — CID 119585328

IUPACN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)CN)cc(OC)c1OC(F)F
InChIInChI=1S/C14H20F2N2O4/c1-8(7-17)18(2)13(19)9-5-10(20-3)12(22-14(15)16)11(6-9)21-4/h5-6,8,14H,7,17H2,1-4H3
InChIKeyBLRQATTWWLTSJB-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.72
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide (PubChem CID 119585328) has the molecular formula C14H20F2N2O4 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
PubChem CID119585328
Molecular FormulaC14H20F2N2O4
Molecular Weight318.32 g/mol
Exact Mass318.14
IUPAC NameN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C(C)CN)cc(OC)c1OC(F)F
InChIInChI=1S/C14H20F2N2O4/c1-8(7-17)18(2)13(19)9-5-10(20-3)12(22-14(15)16)11(6-9)21-4/h5-6,8,14H,7,17H2,1-4H3
InChIKeyBLRQATTWWLTSJB-UHFFFAOYSA-N
XLogP1.72
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119572146
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
CID 86780016
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119609098
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide (CID 119585328) is N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)C(C)CN)cc(OC)c1OC(F)F.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is BLRQATTWWLTSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O4/c1-8(7-17)18(2)13(19)9-5-10(20-3)12(22-14(15)16)11(6-9)21-4/h5-6,8,14H,7,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 318.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 119585328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).