4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide

C13H17ClN2O2 — CID 114028076

IUPAC4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9-6-10(14)2-3-12(9)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyZYAAXFYGYQKTJH-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.37
Rot. Bonds3

About 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide

4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 114028076) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
PubChem CID114028076
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H17ClN2O2/c1-9-6-10(14)2-3-12(9)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyZYAAXFYGYQKTJH-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
CID 128876488
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
CID 10039260
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
CID 102548411
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide (CID 114028076) is 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide is Cc1cc(Cl)ccc1C(=O)NCC1CNCCO1.
What is the InChIKey of 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is ZYAAXFYGYQKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-6-10(14)2-3-12(9)13(17)16-8-11-7-15-4-5-18-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide?
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 114028076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).