5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide

C23H28ClN3O3 — CID 42756154

IUPAC5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H28ClN3O3/c1-2-30-15-5-12-25-23(29)20-16-19(10-11-21(20)27-13-3-4-14-27)26-22(28)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyLDIFHLQODSWGQD-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.35
Rot. Bonds9

About 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42756154) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42756154
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H28ClN3O3/c1-2-30-15-5-12-25-23(29)20-16-19(10-11-21(20)27-13-3-4-14-27)26-22(28)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyLDIFHLQODSWGQD-UHFFFAOYSA-N
XLogP4.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 42660675
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3579642
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 3992320
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 42756154) is 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is LDIFHLQODSWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-2-30-15-5-12-25-23(29)20-16-19(10-11-21(20)27-13-3-4-14-27)26-22(28)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 429.95 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42756154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).