4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide

C21H21Cl2N3O3 — CID 55727373

IUPAC4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C21H21Cl2N3O3/c22-15-5-3-14(4-6-15)20(28)24-10-9-19(27)25-18-8-7-16(23)13-17(18)21(29)26-11-1-2-12-26/h3-8,13H,1-2,9-12H2,(H,24,28)(H,25,27)
InChIKeyDHRJZHVPTQVTDX-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.99
Rot. Bonds6

About 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide

4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide (PubChem CID 55727373) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
PubChem CID55727373
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C21H21Cl2N3O3/c22-15-5-3-14(4-6-15)20(28)24-10-9-19(27)25-18-8-7-16(23)13-17(18)21(29)26-11-1-2-12-26/h3-8,13H,1-2,9-12H2,(H,24,28)(H,25,27)
InChIKeyDHRJZHVPTQVTDX-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide (CID 55727373) is 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)N1CCCC1.
What is the InChIKey of 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is DHRJZHVPTQVTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c22-15-5-3-14(4-6-15)20(28)24-10-9-19(27)25-18-8-7-16(23)13-17(18)21(29)26-11-1-2-12-26/h3-8,13H,1-2,9-12H2,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 434.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55727373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).