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

C14H20F2N2O3 — CID 120654617

IUPAC4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C14H20F2N2O3/c1-4-17-9(2)8-18-13(19)10-5-6-11(21-14(15)16)12(7-10)20-3/h5-7,9,14,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyPDRATQQLWZBBIW-SECBINFHSA-N
MW302.32 g/mol
LogP2.02
Rot. Bonds8

About 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide (PubChem CID 120654617) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
PubChem CID120654617
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C14H20F2N2O3/c1-4-17-9(2)8-18-13(19)10-5-6-11(21-14(15)16)12(7-10)20-3/h5-7,9,14,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyPDRATQQLWZBBIW-SECBINFHSA-N
XLogP2.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide (CID 120654617) is 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide is CCN[C@H](C)CNC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide?
The InChIKey is PDRATQQLWZBBIW-SECBINFHSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-4-17-9(2)8-18-13(19)10-5-6-11(21-14(15)16)12(7-10)20-3/h5-7,9,14,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide has a molecular weight of 302.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide is sourced from PubChem (CID 120654617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).