N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride

C13H19ClF2N2O3 — CID 119584895

IUPACN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C(C)CN)ccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-8(7-16)17(2)12(18)9-4-5-10(20-13(14)15)11(6-9)19-3;/h4-6,8,13H,7,16H2,1-3H3;1H
InChIKeyDCNRQSYVALYQFM-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.14
Rot. Bonds6

About N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride (PubChem CID 119584895) has the molecular formula C13H19ClF2N2O3 and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
PubChem CID119584895
Molecular FormulaC13H19ClF2N2O3
Molecular Weight324.76 g/mol
Exact Mass324.11
IUPAC NameN-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C(C)CN)ccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O3.ClH/c1-8(7-16)17(2)12(18)9-4-5-10(20-13(14)15)11(6-9)19-3;/h4-6,8,13H,7,16H2,1-3H3;1H
InChIKeyDCNRQSYVALYQFM-UHFFFAOYSA-N
XLogP2.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
2-[butan-2-yl-[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetic acid
CID 119954510
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
2-[[4-(difluoromethoxy)-3-methoxybenzoyl]-propylamino]acetic acid
CID 119204959
N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
2-bromo-1-[4-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 19106513

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride (CID 119584895) is N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C(C)CN)ccc1OC(F)F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride?
The InChIKey is DCNRQSYVALYQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3.ClH/c1-8(7-16)17(2)12(18)9-4-5-10(20-13(14)15)11(6-9)19-3;/h4-6,8,13H,7,16H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride has a molecular weight of 324.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119584895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).