N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide

C22H22ClN3O3 — CID 75396876

IUPACN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide
SMILESCN1C(=O)CC(NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O3/c1-26-19(27)12-18(20(26)13-4-8-16(23)9-5-13)25-22(29)15-6-10-17(11-7-15)24-21(28)14-2-3-14/h4-11,14,18,20H,2-3,12H2,1H3,(H,24,28)(H,25,29)
InChIKeySPSFQRACDIQXGA-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide

N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 75396876) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID75396876
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide
SMILESCN1C(=O)CC(NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O3/c1-26-19(27)12-18(20(26)13-4-8-16(23)9-5-13)25-22(29)15-6-10-17(11-7-15)24-21(28)14-2-3-14/h4-11,14,18,20H,2-3,12H2,1H3,(H,24,28)(H,25,29)
InChIKeySPSFQRACDIQXGA-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-methylsulfonylbenzamide
CID 97253069
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 75438784
N-[(2S,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 97157620
1-[[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120552465
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-fluoropyridine-4-carboxamide
CID 84592707
N-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97244437
N-[(2R,3S)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 97140448
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24601515
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 97140752
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide (CID 75396876) is N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide is CN1C(=O)CC(NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is SPSFQRACDIQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-26-19(27)12-18(20(26)13-4-8-16(23)9-5-13)25-22(29)15-6-10-17(11-7-15)24-21(28)14-2-3-14/h4-11,14,18,20H,2-3,12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide?
N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 411.89 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 75396876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).