1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide

C22H24N2O2 — CID 42680162

IUPAC1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(23-13-16-11-12-16)20-15-24(22(26)18-9-5-2-6-10-18)14-19(20)17-7-3-1-4-8-17/h1-10,16,19-20H,11-15H2,(H,23,25)
InChIKeyHPOSUPNZZRMWAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.07
Rot. Bonds5

About 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide

1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 42680162) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID42680162
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(23-13-16-11-12-16)20-15-24(22(26)18-9-5-2-6-10-18)14-19(20)17-7-3-1-4-8-17/h1-10,16,19-20H,11-15H2,(H,23,25)
InChIKeyHPOSUPNZZRMWAT-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496
(3S,4S)-1-benzoyl-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93152374
(3S,4R)-N-(cyclopropylmethyl)-4-(3-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93154365
(3R,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149108
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42681040
(3S,4S)-N-(cyclopropylmethyl)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151900
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357
(3S,4S)-1-(4-chlorobenzoyl)-4-phenyl-N-propylpyrrolidine-3-carboxamide
CID 93148484
(3S,4R)-1-benzoyl-4-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93148646

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide (CID 42680162) is 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide is O=C(NCC1CC1)C1CN(C(=O)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is HPOSUPNZZRMWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(23-13-16-11-12-16)20-15-24(22(26)18-9-5-2-6-10-18)14-19(20)17-7-3-1-4-8-17/h1-10,16,19-20H,11-15H2,(H,23,25).
What are the key properties of 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide?
1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).