3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide

C18H19ClN2O2 — CID 898180

IUPAC3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeySKLWKWMGICOVDM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.74
Rot. Bonds3

About 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 898180) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID898180
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeySKLWKWMGICOVDM-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1278265
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide (CID 898180) is 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is SKLWKWMGICOVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-6-7-14(12-15(13)19)18(22)20-16-4-2-3-5-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide?
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 898180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).