3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide

C15H21ClN2O2 — CID 114399696

IUPAC3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
SMILESCCN1CCOC(CNC(=O)c2cccc(CCl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-18-6-7-20-14(11-18)10-17-15(19)13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11H2,1H3,(H,17,19)
InChIKeyRZLDZMFLEXDNQA-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.88
Rot. Bonds5

About 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide

3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide (PubChem CID 114399696) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
PubChem CID114399696
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
SMILESCCN1CCOC(CNC(=O)c2cccc(CCl)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-18-6-7-20-14(11-18)10-17-15(19)13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11H2,1H3,(H,17,19)
InChIKeyRZLDZMFLEXDNQA-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057540
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide (CID 114399696) is 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide is CCN1CCOC(CNC(=O)c2cccc(CCl)c2)C1.
What is the InChIKey of 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
The InChIKey is RZLDZMFLEXDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-18-6-7-20-14(11-18)10-17-15(19)13-5-3-4-12(8-13)9-16/h3-5,8,14H,2,6-7,9-11H2,1H3,(H,17,19).
What are the key properties of 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide?
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 114399696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).