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

C24H28ClN3O2 — CID 42659848

IUPAC5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O2/c25-18-8-6-7-17(15-18)23(29)27-20-11-12-22(28-13-4-5-14-28)21(16-20)24(30)26-19-9-2-1-3-10-19/h6-8,11-12,15-16,19H,1-5,9-10,13-14H2,(H,26,30)(H,27,29)
InChIKeyFRBYMFYEISJOCS-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.26
Rot. Bonds5

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

5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 42659848) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
PubChem CID42659848
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O2/c25-18-8-6-7-17(15-18)23(29)27-20-11-12-22(28-13-4-5-14-28)21(16-20)24(30)26-19-9-2-1-3-10-19/h6-8,11-12,15-16,19H,1-5,9-10,13-14H2,(H,26,30)(H,27,29)
InChIKeyFRBYMFYEISJOCS-UHFFFAOYSA-N
XLogP5.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
5-[(2-chloro-2-phenylacetyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752807
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
5-[(3-bromobenzoyl)amino]-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4545097

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (CID 42659848) is 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FRBYMFYEISJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-18-8-6-7-17(15-18)23(29)27-20-11-12-22(28-13-4-5-14-28)21(16-20)24(30)26-19-9-2-1-3-10-19/h6-8,11-12,15-16,19H,1-5,9-10,13-14H2,(H,26,30)(H,27,29).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 425.96 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42659848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).