5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C21H24ClN3O4 — CID 991455

IUPAC5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-28-17-5-2-15(3-6-17)20(26)24-19-7-4-16(22)14-18(19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14H,8-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyMYVDCKYDAGPECN-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.66
Rot. Bonds7

About 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 991455) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID991455
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-28-17-5-2-15(3-6-17)20(26)24-19-7-4-16(22)14-18(19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14H,8-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyMYVDCKYDAGPECN-UHFFFAOYSA-N
XLogP2.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 991455) is 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MYVDCKYDAGPECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-28-17-5-2-15(3-6-17)20(26)24-19-7-4-16(22)14-18(19)21(27)23-8-9-25-10-12-29-13-11-25/h2-7,14H,8-13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 417.89 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 991455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).