(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C19H19Cl2N3O2 — CID 1468963

IUPAC(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-7-9-15(10-8-14)23-19(26)24-11-3-6-17(24)18(25)22-12-13-4-1-2-5-16(13)21/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyKPGNHIDQDNYKSC-KRWDZBQOSA-N
MW392.29 g/mol
LogP4.31
Rot. Bonds4

About (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1468963) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1468963
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-7-9-15(10-8-14)23-19(26)24-11-3-6-17(24)18(25)22-12-13-4-1-2-5-16(13)21/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyKPGNHIDQDNYKSC-KRWDZBQOSA-N
XLogP4.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-2-N-[2-(4-chlorophenoxy)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 28946991
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
(2S)-2-N-[(2-methylfuran-3-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95339596
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 1468963) is (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is KPGNHIDQDNYKSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-14-7-9-15(10-8-14)23-19(26)24-11-3-6-17(24)18(25)22-12-13-4-1-2-5-16(13)21/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(4-chlorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).