N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide

C23H23Cl2N3O3 — CID 112833762

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O3/c1-13-4-5-14(21(29)26-16-7-8-16)12-19(13)27-22(30)20-3-2-10-28(20)23(31)15-6-9-17(24)18(25)11-15/h4-6,9,11-12,16,20H,2-3,7-8,10H2,1H3,(H,26,29)(H,27,30)
InChIKeyKTBSLRSIJMPSDD-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.44
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 112833762) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID112833762
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O3/c1-13-4-5-14(21(29)26-16-7-8-16)12-19(13)27-22(30)20-3-2-10-28(20)23(31)15-6-9-17(24)18(25)11-15/h4-6,9,11-12,16,20H,2-3,7-8,10H2,1H3,(H,26,29)(H,27,30)
InChIKeyKTBSLRSIJMPSDD-UHFFFAOYSA-N
XLogP4.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112819222
N-(2-bromo-4-fluorophenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112835545
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508
(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95280169
1-(3,4-dichlorobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167790919
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
3-[[1-(3,4-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 119351543
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide (CID 112833762) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is KTBSLRSIJMPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c1-13-4-5-14(21(29)26-16-7-8-16)12-19(13)27-22(30)20-3-2-10-28(20)23(31)15-6-9-17(24)18(25)11-15/h4-6,9,11-12,16,20H,2-3,7-8,10H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 112833762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).