5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

C24H29N3O2 — CID 1064478

IUPAC5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23(18-9-3-1-4-10-18)26-20-13-14-22(27-15-7-8-16-27)21(17-20)24(29)25-19-11-5-2-6-12-19/h1,3-4,9-10,13-14,17,19H,2,5-8,11-12,15-16H2,(H,25,29)(H,26,28)
InChIKeyWICPMRSOEACZRV-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.60
Rot. Bonds5

About 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide

5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 1064478) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
PubChem CID1064478
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-23(18-9-3-1-4-10-18)26-20-13-14-22(27-15-7-8-16-27)21(17-20)24(29)25-19-11-5-2-6-12-19/h1,3-4,9-10,13-14,17,19H,2,5-8,11-12,15-16H2,(H,25,29)(H,26,28)
InChIKeyWICPMRSOEACZRV-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.60
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-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
5-[(2-chloro-2-phenylacetyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752807
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
5-[[(2S)-2-chloro-2-phenylacetyl]amino]-N-cyclopropyl-2-piperidin-1-ylbenzamide
CID 1066243
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide (CID 1064478) is 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WICPMRSOEACZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(18-9-3-1-4-10-18)26-20-13-14-22(27-15-7-8-16-27)21(17-20)24(29)25-19-11-5-2-6-12-19/h1,3-4,9-10,13-14,17,19H,2,5-8,11-12,15-16H2,(H,25,29)(H,26,28).
What are the key properties of 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide?
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 391.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1064478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).