N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide

C18H18ClFN2O2 — CID 44577458

IUPACN-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-2-3-10-21-17(23)14-9-8-12(19)11-16(14)22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyAXSIMFCMARYOJY-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.26
Rot. Bonds6

About N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide

N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide (PubChem CID 44577458) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide
PubChem CID44577458
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H18ClFN2O2/c1-2-3-10-21-17(23)14-9-8-12(19)11-16(14)22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyAXSIMFCMARYOJY-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide (CID 44577458) is N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide is CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide?
The InChIKey is AXSIMFCMARYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-2-3-10-21-17(23)14-9-8-12(19)11-16(14)22-18(24)13-6-4-5-7-15(13)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide?
N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide has a molecular weight of 348.81 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-[(2-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 44577458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).