4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide

C19H20F2N2O4 — CID 9315107

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H20F2N2O4/c1-12(13-6-4-3-5-7-13)23-17(24)11-22-18(25)14-8-9-15(27-19(20)21)16(10-14)26-2/h3-10,12,19H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
InChIKeyIIJHBTWFQCSKEL-GFCCVEGCSA-N
MW378.38 g/mol
LogP2.90
Rot. Bonds8

About 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 9315107) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID9315107
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H20F2N2O4/c1-12(13-6-4-3-5-7-13)23-17(24)11-22-18(25)14-8-9-15(27-19(20)21)16(10-14)26-2/h3-10,12,19H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
InChIKeyIIJHBTWFQCSKEL-GFCCVEGCSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55923560
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512
4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55952260
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide (CID 9315107) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is IIJHBTWFQCSKEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-12(13-6-4-3-5-7-13)23-17(24)11-22-18(25)14-8-9-15(27-19(20)21)16(10-14)26-2/h3-10,12,19H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 378.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 9315107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).