N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide

C15H20FN3O3 — CID 119704143

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CNCCO2)cc1F
InChIInChI=1S/C15H20FN3O3/c1-10-2-3-11(8-12(10)16)14(20)18-4-5-19-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYBOYDRTUJIMCCA-UHFFFAOYSA-N
MW309.34 g/mol
LogP-0.03
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide (PubChem CID 119704143) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
PubChem CID119704143
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CNCCO2)cc1F
InChIInChI=1S/C15H20FN3O3/c1-10-2-3-11(8-12(10)16)14(20)18-4-5-19-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYBOYDRTUJIMCCA-UHFFFAOYSA-N
XLogP-0.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]morpholine-2-carboxamide
CID 119798226
3-fluoro-4-methyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]benzamide
CID 36978066
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 134039442
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide (CID 119704143) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C2CNCCO2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide?
The InChIKey is YBOYDRTUJIMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-10-2-3-11(8-12(10)16)14(20)18-4-5-19-15(21)13-9-17-6-7-22-13/h2-3,8,13,17H,4-7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119704143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).