2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C15H21ClN2O2 — CID 43346970

IUPAC2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Cl)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-18-6-8-20-9-7-18/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyBARSXPWNAGOIFA-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.76
Rot. Bonds5

About 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 43346970) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID43346970
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Cl)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C15H21ClN2O2/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-18-6-8-20-9-7-18/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyBARSXPWNAGOIFA-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 92784201
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 43346970) is 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CC(Cl)C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is BARSXPWNAGOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12(16)15(19)17-10-13-4-2-3-5-14(13)11-18-6-8-20-9-7-18/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 43346970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).