4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C24H28ClN3O3 — CID 31383538

IUPAC4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-17-4-6-18(7-5-17)21(16-27-11-13-31-14-12-27)26-24(30)19-8-9-20(25)22(15-19)28-10-2-3-23(28)29/h4-9,15,21H,2-3,10-14,16H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyBJMNWKJHGAJYEL-OAQYLSRUSA-N
MW441.96 g/mol
LogP3.58
Rot. Bonds6

About 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 31383538) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID31383538
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C24H28ClN3O3/c1-17-4-6-18(7-5-17)21(16-27-11-13-31-14-12-27)26-24(30)19-8-9-20(25)22(15-19)28-10-2-3-23(28)29/h4-9,15,21H,2-3,10-14,16H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyBJMNWKJHGAJYEL-OAQYLSRUSA-N
XLogP3.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
methyl 3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 24516853
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 31864541
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 9144857
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
2-(2-chloro-5-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144641

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 31383538) is 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BJMNWKJHGAJYEL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17-4-6-18(7-5-17)21(16-27-11-13-31-14-12-27)26-24(30)19-8-9-20(25)22(15-19)28-10-2-3-23(28)29/h4-9,15,21H,2-3,10-14,16H2,1H3,(H,26,30)/t21-/m1/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 441.96 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 31383538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).