N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide

C17H18Cl2N2O — CID 112984878

IUPACN-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22)
InChIKeyOUTQMOGJHPUETJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.46
Rot. Bonds3

About N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide

N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide (PubChem CID 112984878) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
PubChem CID112984878
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22)
InChIKeyOUTQMOGJHPUETJ-UHFFFAOYSA-N
XLogP5.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
1-N,3-N-bis[4-(tert-butylamino)phenyl]-5-(2,2-dimethylpropanoyl)benzene-1,3-dicarboxamide
CID 159489703
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide (CID 112984878) is N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide is CC(C)(C)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide?
The InChIKey is OUTQMOGJHPUETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-17(2,3)21-13-7-5-12(6-8-13)20-16(22)11-4-9-14(18)15(19)10-11/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide?
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide has a molecular weight of 337.25 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 112984878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).