2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide

C19H17ClFN3O2 — CID 102555839

IUPAC2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)c1
InChIInChI=1S/C19H17ClFN3O2/c20-16-9-15(4-5-17(16)21)18-12-24(6-7-26-18)19(25)23-11-14-3-1-2-13(8-14)10-22/h1-5,8-9,18H,6-7,11-12H2,(H,23,25)
InChIKeyIEAPXMRATWBVEH-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.63
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide

2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide (PubChem CID 102555839) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
PubChem CID102555839
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)c1
InChIInChI=1S/C19H17ClFN3O2/c20-16-9-15(4-5-17(16)21)18-12-24(6-7-26-18)19(25)23-11-14-3-1-2-13(8-14)10-22/h1-5,8-9,18H,6-7,11-12H2,(H,23,25)
InChIKeyIEAPXMRATWBVEH-UHFFFAOYSA-N
XLogP3.63
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
(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
(2S)-2-(3-chloro-4-fluorophenyl)-N-[(1R)-1-(3-cyanophenyl)ethyl]morpholine-4-carboxamide
CID 129434626
(2S)-2-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(3-cyanophenyl)ethyl]morpholine-4-carboxamide
CID 129434628
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
(2R)-2-(3-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 129369467
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 47249348
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide (CID 102555839) is 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide is N#Cc1cccc(CNC(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is IEAPXMRATWBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c20-16-9-15(4-5-17(16)21)18-12-24(6-7-26-18)19(25)23-11-14-3-1-2-13(8-14)10-22/h1-5,8-9,18H,6-7,11-12H2,(H,23,25).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 102555839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).