4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide

C18H18Cl2N2O2 — CID 109048535

IUPAC4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-15-9-13(19)8-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyMQCFRLWHDVIJQV-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.77
Rot. Bonds3

About 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109048535) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
PubChem CID109048535
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-15-9-13(19)8-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyMQCFRLWHDVIJQV-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide (CID 109048535) is 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is MQCFRLWHDVIJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22-17(24)12-6-4-11(5-7-12)16(23)21-15-9-13(19)8-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).