N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide

C14H17ClN2O2 — CID 2985363

IUPACN-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-4-12(16-14(18)10-1-2-10)13(9-11)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2,(H,16,18)
InChIKeyHXFSYIVDZFWXFS-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.53
Rot. Bonds3

About N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide

N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide (PubChem CID 2985363) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide
PubChem CID2985363
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-4-12(16-14(18)10-1-2-10)13(9-11)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2,(H,16,18)
InChIKeyHXFSYIVDZFWXFS-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide (CID 2985363) is N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide is O=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CC1.
What is the InChIKey of N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The InChIKey is HXFSYIVDZFWXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-3-4-12(16-14(18)10-1-2-10)13(9-11)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2,(H,16,18).
What are the key properties of N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide?
N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 2985363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).