N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide

C20H23ClN4O — CID 129024852

IUPACN-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide
SMILES[H]/N=C/N(/C(C)=N/[H])c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN4O/c1-13(23)25(12-22)18-10-15(14-5-7-17(21)8-6-14)9-16(11-18)19(26)24-20(2,3)4/h5-12,22-23H,1-4H3,(H,24,26)/b22-12+,23-13+
InChIKeyYMFGRMFWGPGMQT-FWSOMWAYSA-N
MW370.88 g/mol
LogP4.95
Rot. Bonds4

About N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide

N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide (PubChem CID 129024852) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide
PubChem CID129024852
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide
SMILES[H]/N=C/N(/C(C)=N/[H])c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN4O/c1-13(23)25(12-22)18-10-15(14-5-7-17(21)8-6-14)9-16(11-18)19(26)24-20(2,3)4/h5-12,22-23H,1-4H3,(H,24,26)/b22-12+,23-13+
InChIKeyYMFGRMFWGPGMQT-FWSOMWAYSA-N
XLogP4.95
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)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

Related Compounds

N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
CID 126572774
3-(4-chlorophenyl)-N-(3,3-difluoro-2-methylbutan-2-yl)-5-methylbenzamide
CID 145257658
N-tert-butyl-3-(4-chlorophenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 122640864
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
N-tert-butyl-4-chloro-2-methylbenzamide
CID 59804554
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
CID 126572802
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
3-(4-chlorophenyl)-5-iodobenzoic acid
CID 126572744
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide (CID 129024852) is N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide is [H]/N=C/N(/C(C)=N/[H])c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide?
The InChIKey is YMFGRMFWGPGMQT-FWSOMWAYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-13(23)25(12-22)18-10-15(14-5-7-17(21)8-6-14)9-16(11-18)19(26)24-20(2,3)4/h5-12,22-23H,1-4H3,(H,24,26)/b22-12+,23-13+.
What are the key properties of N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide?
N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-chlorophenyl)-5-[ethanimidoyl(methanimidoyl)amino]benzamide is sourced from PubChem (CID 129024852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).