N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide

C18H20ClN3O — CID 53433313

IUPACN-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide
SMILESCc1ccc(N(C=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O/c1-15-7-8-17(13-18(15)19)22(14-23)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyWINIHOCJULFTDP-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.35
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide

N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide (PubChem CID 53433313) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide
PubChem CID53433313
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide
SMILESCc1ccc(N(C=O)N2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClN3O/c1-15-7-8-17(13-18(15)19)22(14-23)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyWINIHOCJULFTDP-UHFFFAOYSA-N
XLogP3.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide (CID 53433313) is N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide is Cc1ccc(N(C=O)N2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide?
The InChIKey is WINIHOCJULFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-15-7-8-17(13-18(15)19)22(14-23)21-11-9-20(10-12-21)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide?
N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide has a molecular weight of 329.83 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-(4-phenylpiperazin-1-yl)formamide is sourced from PubChem (CID 53433313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).