N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide

C19H20F2N2O2 — CID 171142046

IUPACN-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCc2ccc(F)cc2F)C1c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-23-9-10-25-18(17(23)13-5-3-2-4-6-13)19(24)22-12-14-7-8-15(20)11-16(14)21/h2-8,11,17-18H,9-10,12H2,1H3,(H,22,24)
InChIKeyPYKACXRMYFYHCF-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.65
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide (PubChem CID 171142046) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide
PubChem CID171142046
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCc2ccc(F)cc2F)C1c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-23-9-10-25-18(17(23)13-5-3-2-4-6-13)19(24)22-12-14-7-8-15(20)11-16(14)21/h2-8,11,17-18H,9-10,12H2,1H3,(H,22,24)
InChIKeyPYKACXRMYFYHCF-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001
(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739766
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
(1R)-N-[(2,4-difluorophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096224
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 138031496
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
(2S,3R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739769

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide (CID 171142046) is N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide is CN1CCOC(C(=O)NCc2ccc(F)cc2F)C1c1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide?
The InChIKey is PYKACXRMYFYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-23-9-10-25-18(17(23)13-5-3-2-4-6-13)19(24)22-12-14-7-8-15(20)11-16(14)21/h2-8,11,17-18H,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-methyl-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 171142046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).