N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide

C18H19Cl2N3O — CID 135960418

IUPACN-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide
SMILESCC(C)(C)c1ccc(/N=C(\N)NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-18(2,3)11-4-7-13(8-5-11)22-17(21)23-16(24)14-10-12(19)6-9-15(14)20/h4-10H,1-3H3,(H3,21,22,23,24)
InChIKeyMERWBUYWXDTQQQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.67
Rot. Bonds2

About N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide

N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide (PubChem CID 135960418) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide
PubChem CID135960418
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide
SMILESCC(C)(C)c1ccc(/N=C(\N)NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-18(2,3)11-4-7-13(8-5-11)22-17(21)23-16(24)14-10-12(19)6-9-15(14)20/h4-10H,1-3H3,(H3,21,22,23,24)
InChIKeyMERWBUYWXDTQQQ-UHFFFAOYSA-N
XLogP4.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide
CID 135440609
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
CID 58663049
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide (CID 135960418) is N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide is CC(C)(C)c1ccc(/N=C(\N)NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide?
The InChIKey is MERWBUYWXDTQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-18(2,3)11-4-7-13(8-5-11)22-17(21)23-16(24)14-10-12(19)6-9-15(14)20/h4-10H,1-3H3,(H3,21,22,23,24).
What are the key properties of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide?
N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide has a molecular weight of 364.28 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 135960418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).