(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide

C18H17Cl2N3O2 — CID 1445725

IUPAC(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c19-12-4-1-6-14(10-12)21-17(24)16-8-3-9-23(16)18(25)22-15-7-2-5-13(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyJMEZUUCROYSHFE-INIZCTEOSA-N
MW378.26 g/mol
LogP4.63
Rot. Bonds3

About (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1445725) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1445725
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c19-12-4-1-6-14(10-12)21-17(24)16-8-3-9-23(16)18(25)22-15-7-2-5-13(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyJMEZUUCROYSHFE-INIZCTEOSA-N
XLogP4.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
(2R)-1-N-(3-chlorophenyl)-2-N-(4-ethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1445734
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2R)-1-N-(3-chlorophenyl)-2-N-(2,6-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51508333
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
(2R)-1-N-(3-chlorophenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 51508255
tert-butyl (2R)-2-[(3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 9138621
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
2-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3258483
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide (CID 1445725) is (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JMEZUUCROYSHFE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-12-4-1-6-14(10-12)21-17(24)16-8-3-9-23(16)18(25)22-15-7-2-5-13(20)11-15/h1-2,4-7,10-11,16H,3,8-9H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 378.26 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1445725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).