5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide

C27H28ClN3O2 — CID 122184559

IUPAC5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESNC(=O)c1cc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc1CN1CCCC1
InChIInChI=1S/C27H28ClN3O2/c28-24-11-9-21(10-12-24)20-5-7-22(8-6-20)27(33)30-14-13-19-3-4-23(25(17-19)26(29)32)18-31-15-1-2-16-31/h3-12,17H,1-2,13-16,18H2,(H2,29,32)(H,30,33)
InChIKeyOXFAUKJCJTYKTA-UHFFFAOYSA-N
MW461.99 g/mol
LogP4.67
Rot. Bonds8

About 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide

5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 122184559) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID122184559
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESNC(=O)c1cc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc1CN1CCCC1
InChIInChI=1S/C27H28ClN3O2/c28-24-11-9-21(10-12-24)20-5-7-22(8-6-20)27(33)30-14-13-19-3-4-23(25(17-19)26(29)32)18-31-15-1-2-16-31/h3-12,17H,1-2,13-16,18H2,(H2,29,32)(H,30,33)
InChIKeyOXFAUKJCJTYKTA-UHFFFAOYSA-N
XLogP4.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Eragidomide
CID 118647211
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Calhex 231
CID 11849514
Benzamide derivative 11
CID 41306362
N-(2-chlorophenethyl)-N-(pyrrolidin-3-yl)-4-((3-o-tolylpiperidin-1-yl)methyl)benzamide
CID 44433047
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
CID 165416302

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide (CID 122184559) is 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide is NC(=O)c1cc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc1CN1CCCC1.
What is the InChIKey of 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is OXFAUKJCJTYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c28-24-11-9-21(10-12-24)20-5-7-22(8-6-20)27(33)30-14-13-19-3-4-23(25(17-19)26(29)32)18-31-15-1-2-16-31/h3-12,17H,1-2,13-16,18H2,(H2,29,32)(H,30,33).
What are the key properties of 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide?
5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 461.99 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 122184559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).