2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide

C17H21Cl2N3O2 — CID 42697337

IUPAC2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-13-3-4-14(15(19)11-13)16(23)20-5-6-21-7-9-22(10-8-21)17(24)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,20,23)
InChIKeyXPRUJJOCMCDVHF-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.28
Rot. Bonds5

About 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide

2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42697337) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42697337
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-13-3-4-14(15(19)11-13)16(23)20-5-6-21-7-9-22(10-8-21)17(24)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,20,23)
InChIKeyXPRUJJOCMCDVHF-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]benzamide
CID 124851587
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 991469
2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896857
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2-chloro-N-[2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]ethyl]-4-nitrobenzamide
CID 3752106
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide (CID 42697337) is 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is XPRUJJOCMCDVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-13-3-4-14(15(19)11-13)16(23)20-5-6-21-7-9-22(10-8-21)17(24)12-1-2-12/h3-4,11-12H,1-2,5-10H2,(H,20,23).
What are the key properties of 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide?
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 370.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42697337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).