(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide

C20H22FN3O3 — CID 120923570

IUPAC(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O3/c1-13-18(22-10-11-27-13)20(26)24-16-8-6-14(7-9-16)19(25)23-12-15-4-2-3-5-17(15)21/h2-9,13,18,22H,10-12H2,1H3,(H,23,25)(H,24,26)/t13-,18+/m1/s1
InChIKeyHTBYEFMCIYYGLZ-ACJLOTCBSA-N
MW371.41 g/mol
LogP2.07
Rot. Bonds5

About (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120923570) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120923570
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O3/c1-13-18(22-10-11-27-13)20(26)24-16-8-6-14(7-9-16)19(25)23-12-15-4-2-3-5-17(15)21/h2-9,13,18,22H,10-12H2,1H3,(H,23,25)(H,24,26)/t13-,18+/m1/s1
InChIKeyHTBYEFMCIYYGLZ-ACJLOTCBSA-N
XLogP2.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
ethyl 2-[[4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]benzoyl]amino]propanoate
CID 120935486
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide (CID 120923570) is (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is HTBYEFMCIYYGLZ-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13-18(22-10-11-27-13)20(26)24-16-8-6-14(7-9-16)19(25)23-12-15-4-2-3-5-17(15)21/h2-9,13,18,22H,10-12H2,1H3,(H,23,25)(H,24,26)/t13-,18+/m1/s1.
What are the key properties of (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120923570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).