1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide

C20H20Cl2N2O3 — CID 55780335

IUPAC1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-27-12-13-5-2-3-6-17(13)23-19(25)18-7-4-10-24(18)20(26)15-11-14(21)8-9-16(15)22/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H,23,25)
InChIKeyGEILPZDFDAPCJJ-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.38
Rot. Bonds5

About 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide

1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 55780335) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID55780335
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOCc1ccccc1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-27-12-13-5-2-3-6-17(13)23-19(25)18-7-4-10-24(18)20(26)15-11-14(21)8-9-16(15)22/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H,23,25)
InChIKeyGEILPZDFDAPCJJ-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55878723
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
CID 51938469
(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 95611412
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 55780335) is 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide is COCc1ccccc1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GEILPZDFDAPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-27-12-13-5-2-3-6-17(13)23-19(25)18-7-4-10-24(18)20(26)15-11-14(21)8-9-16(15)22/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H,23,25).
What are the key properties of 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide?
1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55780335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).