4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

C15H20F2N2O4 — CID 8752340

IUPAC4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC(F)F)c(OCC)c1
InChIInChI=1S/C15H20F2N2O4/c1-4-18-13(20)9(3)19-14(21)10-6-7-11(23-15(16)17)12(8-10)22-5-2/h6-9,15H,4-5H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyBNBFVUJBLPVCGF-SECBINFHSA-N
MW330.33 g/mol
LogP1.94
Rot. Bonds8

About 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 8752340) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID8752340
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC(F)F)c(OCC)c1
InChIInChI=1S/C15H20F2N2O4/c1-4-18-13(20)9(3)19-14(21)10-6-7-11(23-15(16)17)12(8-10)22-5-2/h6-9,15H,4-5H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyBNBFVUJBLPVCGF-SECBINFHSA-N
XLogP1.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9156060
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712119
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
1-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9477836
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 8752340) is 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)[C@@H](C)NC(=O)c1ccc(OC(F)F)c(OCC)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is BNBFVUJBLPVCGF-SECBINFHSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-4-18-13(20)9(3)19-14(21)10-6-7-11(23-15(16)17)12(8-10)22-5-2/h6-9,15H,4-5H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 330.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 8752340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).