N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide

C14H19ClN2O2 — CID 882910

IUPACN-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-11-12(15)3-2-4-13(11)16-14(18)5-6-17-7-9-19-10-8-17/h2-4H,5-10H2,1H3,(H,16,18)
InChIKeyPEVNGUODMCHRIY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.31
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide

N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide (PubChem CID 882910) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
PubChem CID882910
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-11-12(15)3-2-4-13(11)16-14(18)5-6-17-7-9-19-10-8-17/h2-4H,5-10H2,1H3,(H,16,18)
InChIKeyPEVNGUODMCHRIY-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide (CID 882910) is N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide is Cc1c(Cl)cccc1NC(=O)CCN1CCOCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is PEVNGUODMCHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11-12(15)3-2-4-13(11)16-14(18)5-6-17-7-9-19-10-8-17/h2-4H,5-10H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide?
N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 882910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).