4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide

C15H17ClFN3O4 — CID 49417471

IUPAC4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C15H17ClFN3O4/c16-11-7-9(17)1-2-10(11)15(23)19-4-3-13(21)20-5-6-24-12(8-20)14(18)22/h1-2,7,12H,3-6,8H2,(H2,18,22)(H,19,23)
InChIKeyYAOZAYDNRSKSAW-UHFFFAOYSA-N
MW357.77 g/mol
LogP0.31
Rot. Bonds5

About 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide

4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide (PubChem CID 49417471) has the molecular formula C15H17ClFN3O4 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide
PubChem CID49417471
Molecular FormulaC15H17ClFN3O4
Molecular Weight357.77 g/mol
Exact Mass357.09
IUPAC Name4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C15H17ClFN3O4/c16-11-7-9(17)1-2-10(11)15(23)19-4-3-13(21)20-5-6-24-12(8-20)14(18)22/h1-2,7,12H,3-6,8H2,(H2,18,22)(H,19,23)
InChIKeyYAOZAYDNRSKSAW-UHFFFAOYSA-N
XLogP0.31
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide (CID 49417471) is 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CCO1.
What is the InChIKey of 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide?
The InChIKey is YAOZAYDNRSKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O4/c16-11-7-9(17)1-2-10(11)15(23)19-4-3-13(21)20-5-6-24-12(8-20)14(18)22/h1-2,7,12H,3-6,8H2,(H2,18,22)(H,19,23).
What are the key properties of 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide?
4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 49417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).