2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide

C20H22ClN3O2 — CID 1252414

IUPAC2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-2-19(25)24-13-11-23(12-14-24)16-9-7-15(8-10-16)22-20(26)17-5-3-4-6-18(17)21/h3-10H,2,11-14H2,1H3,(H,22,26)
InChIKeySEBJRDZWNZYWCY-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide

2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1252414) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID1252414
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-2-19(25)24-13-11-23(12-14-24)16-9-7-15(8-10-16)22-20(26)17-5-3-4-6-18(17)21/h3-10H,2,11-14H2,1H3,(H,22,26)
InChIKeySEBJRDZWNZYWCY-UHFFFAOYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 4312093
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-chloro-4-methylbenzamide
CID 3383622
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,5-dichlorobenzamide
CID 3619505
2,2,2-trichloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 3818372
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea
CID 50879805
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
4-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 3486849
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide (CID 1252414) is 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide is CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is SEBJRDZWNZYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-19(25)24-13-11-23(12-14-24)16-9-7-15(8-10-16)22-20(26)17-5-3-4-6-18(17)21/h3-10H,2,11-14H2,1H3,(H,22,26).
What are the key properties of 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide?
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1252414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).