1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide

C20H21Cl2N3O2 — CID 123825810

IUPAC1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(Cl)cc2)N(C(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c1-12-8-18(19(26)24-10-13-2-5-15(21)6-3-13)25(11-12)20(27)14-4-7-16(22)17(23)9-14/h2-7,9,12,18H,8,10-11,23H2,1H3,(H,24,26)
InChIKeyCCIRPFCZWJHOIB-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide

1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 123825810) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID123825810
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(Cl)cc2)N(C(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c1-12-8-18(19(26)24-10-13-2-5-15(21)6-3-13)25(11-12)20(27)14-4-7-16(22)17(23)9-14/h2-7,9,12,18H,8,10-11,23H2,1H3,(H,24,26)
InChIKeyCCIRPFCZWJHOIB-UHFFFAOYSA-N
XLogP3.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide 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

(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 71608949
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 71608952
1-(2-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77136388
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 72734417
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-[3-(hydroxymethyl)phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123372926
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
(2S,4R)-1-[(Z,2E)-5-amino-2-ethylidenepent-3-enoyl]-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146358282
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-[3-(hydroxymethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 123563649
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide (CID 123825810) is 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide is CC1CC(C(=O)NCc2ccc(Cl)cc2)N(C(=O)c2ccc(Cl)c(N)c2)C1.
What is the InChIKey of 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is CCIRPFCZWJHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-12-8-18(19(26)24-10-13-2-5-15(21)6-3-13)25(11-12)20(27)14-4-7-16(22)17(23)9-14/h2-7,9,12,18H,8,10-11,23H2,1H3,(H,24,26).
What are the key properties of 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).