2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C14H18Cl2N2O2 — CID 110710540

IUPAC2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CN(C)C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-17-5-6-20-11(8-17)9-18(2)14(19)12-4-3-10(15)7-13(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyBYEBMPJQFDKYNA-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.40
Rot. Bonds3

About 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide

2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 110710540) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID110710540
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CN(C)C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-17-5-6-20-11(8-17)9-18(2)14(19)12-4-3-10(15)7-13(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3
InChIKeyBYEBMPJQFDKYNA-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 110710533
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
2-chloro-4-[(4-methylmorpholin-2-yl)methylsulfonyl]benzoic acid
CID 107090402
3,4,5-trimethoxy-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710510
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204933
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478726
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 110710540) is 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CN(C)C(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is BYEBMPJQFDKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-17-5-6-20-11(8-17)9-18(2)14(19)12-4-3-10(15)7-13(12)16/h3-4,7,11H,5-6,8-9H2,1-2H3.
What are the key properties of 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 110710540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).