3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide

C13H18F2N2O2 — CID 120652569

IUPAC3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-3-16-9(2)8-17-12(18)10-5-4-6-11(7-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyBDKLLBZYLYVMFZ-SECBINFHSA-N
MW272.29 g/mol
LogP2.02
Rot. Bonds7

About 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide

3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide (PubChem CID 120652569) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
PubChem CID120652569
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-3-16-9(2)8-17-12(18)10-5-4-6-11(7-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyBDKLLBZYLYVMFZ-SECBINFHSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
3-butan-2-yloxy-N-[2-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150551
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide (CID 120652569) is 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide is CCN[C@H](C)CNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide?
The InChIKey is BDKLLBZYLYVMFZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-16-9(2)8-17-12(18)10-5-4-6-11(7-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide?
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide has a molecular weight of 272.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide is sourced from PubChem (CID 120652569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).