(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide

C16H18F2N4O2 — CID 99773840

IUPAC(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCn1ccnc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H18F2N4O2/c1-21-5-4-19-15(21)9-20-16(23)22-6-7-24-14(10-22)11-2-3-12(17)13(18)8-11/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyZWHNAZUIRYIEFB-CQSZACIVSA-N
MW336.34 g/mol
LogP1.98
Rot. Bonds3

About (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide

(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 99773840) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
PubChem CID99773840
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCn1ccnc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H18F2N4O2/c1-21-5-4-19-15(21)9-20-16(23)22-6-7-24-14(10-22)11-2-3-12(17)13(18)8-11/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyZWHNAZUIRYIEFB-CQSZACIVSA-N
XLogP1.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
2-(4-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]morpholine-4-carboxamide
CID 55792890
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434
2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 119041502

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide (CID 99773840) is (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide is Cn1ccnc1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is ZWHNAZUIRYIEFB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-21-5-4-19-15(21)9-20-16(23)22-6-7-24-14(10-22)11-2-3-12(17)13(18)8-11/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide?
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 99773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).