(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide

C19H20F2N2O3 — CID 95178272

IUPAC(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H20F2N2O3/c1-25-15-5-2-13(3-6-15)11-22-19(24)23-8-9-26-18(12-23)14-4-7-16(20)17(21)10-14/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyUVUJCNLYFJBDGV-GOSISDBHSA-N
MW362.38 g/mol
LogP3.26
Rot. Bonds4

About (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide

(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (PubChem CID 95178272) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
PubChem CID95178272
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C19H20F2N2O3/c1-25-15-5-2-13(3-6-15)11-22-19(24)23-8-9-26-18(12-23)14-4-7-16(20)17(21)10-14/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyUVUJCNLYFJBDGV-GOSISDBHSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
(2R)-2-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 129369467
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (CID 95178272) is (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide is COc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is UVUJCNLYFJBDGV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-25-15-5-2-13(3-6-15)11-22-19(24)23-8-9-26-18(12-23)14-4-7-16(20)17(21)10-14/h2-7,10,18H,8-9,11-12H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide?
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95178272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).