N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

C20H20ClN3O3 — CID 109053818

IUPACN-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C20H20ClN3O3/c1-14-17(21)6-3-7-18(14)22-19(26)15-4-2-5-16(12-15)20(27)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyKVCRYRVOUCDGMG-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.81
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide

N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (PubChem CID 109053818) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
PubChem CID109053818
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C20H20ClN3O3/c1-14-17(21)6-3-7-18(14)22-19(26)15-4-2-5-16(12-15)20(27)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyKVCRYRVOUCDGMG-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide (CID 109053818) is N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
The InChIKey is KVCRYRVOUCDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-14-17(21)6-3-7-18(14)22-19(26)15-4-2-5-16(12-15)20(27)24-10-8-23(13-25)9-11-24/h2-7,12-13H,8-11H2,1H3,(H,22,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide?
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).