4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide

C16H23ClN2O3 — CID 136547909

IUPAC4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)(C)CN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-16(2,11-19-6-8-22-9-7-19)18-15(20)12-4-5-13(17)14(10-12)21-3/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyNEXNLKJLTMAASV-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.19
Rot. Bonds5

About 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide

4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 136547909) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID136547909
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)(C)CN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-16(2,11-19-6-8-22-9-7-19)18-15(20)12-4-5-13(17)14(10-12)21-3/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyNEXNLKJLTMAASV-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide
CID 143569798
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468274
(2S,3R)-3-[(4-chloro-3-methoxybenzoyl)amino]oxolane-2-carboxylic acid
CID 138057901
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 116588961
oxan-4-yl 4-chloro-3-methoxybenzoate
CID 75496715
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-morpholin-4-ylbenzamide
CID 9113306
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide (CID 136547909) is 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)(C)CN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is NEXNLKJLTMAASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-16(2,11-19-6-8-22-9-7-19)18-15(20)12-4-5-13(17)14(10-12)21-3/h4-5,10H,6-9,11H2,1-3H3,(H,18,20).
What are the key properties of 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide?
4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 136547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).