N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide

C21H21Cl2N3O3 — CID 55873911

IUPACN-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-2-19(27)24-16-6-3-5-13(9-16)21(29)26-8-4-7-18(26)20(28)25-17-11-14(22)10-15(23)12-17/h3,5-6,9-12,18H,2,4,7-8H2,1H3,(H,24,27)(H,25,28)
InChIKeyHCEXBAIUIYVPBN-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.59
Rot. Bonds5

About N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 55873911) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
PubChem CID55873911
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC NameN-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-2-19(27)24-16-6-3-5-13(9-16)21(29)26-8-4-7-18(26)20(28)25-17-11-14(22)10-15(23)12-17/h3,5-6,9-12,18H,2,4,7-8H2,1H3,(H,24,27)(H,25,28)
InChIKeyHCEXBAIUIYVPBN-UHFFFAOYSA-N
XLogP4.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
CID 55613875
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 46375210
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide (CID 55873911) is N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide is CCC(=O)Nc1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is HCEXBAIUIYVPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-2-19(27)24-16-6-3-5-13(9-16)21(29)26-8-4-7-18(26)20(28)25-17-11-14(22)10-15(23)12-17/h3,5-6,9-12,18H,2,4,7-8H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55873911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).