(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C19H20Cl2N2O2 — CID 11234325

IUPAC(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-15-4-1-3-13(9-15)12-25-16-7-6-14(17(21)10-16)11-23-8-2-5-18(23)19(22)24/h1,3-4,6-7,9-10,18H,2,5,8,11-12H2,(H2,22,24)/t18-/m0/s1
InChIKeyJWZRRYAXTNODEL-SFHVURJKSA-N
MW379.29 g/mol
LogP4.02
Rot. Bonds6

About (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 11234325) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID11234325
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-15-4-1-3-13(9-15)12-25-16-7-6-14(17(21)10-16)11-23-8-2-5-18(23)19(22)24/h1,3-4,6-7,9-10,18H,2,5,8,11-12H2,(H2,22,24)/t18-/m0/s1
InChIKeyJWZRRYAXTNODEL-SFHVURJKSA-N
XLogP4.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
CID 175607279
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
sodium 3-[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]propanoate
CID 70629345
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[[3-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560364
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
4-[[4-[(3-bromophenyl)methoxy]-2-fluorophenyl]methyl]morpholine-3-carboxamide
CID 175069312

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 11234325) is (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JWZRRYAXTNODEL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-15-4-1-3-13(9-15)12-25-16-7-6-14(17(21)10-16)11-23-8-2-5-18(23)19(22)24/h1,3-4,6-7,9-10,18H,2,5,8,11-12H2,(H2,22,24)/t18-/m0/s1.
What are the key properties of (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11234325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).