N-tert-butyl-2,4-dichloro-N-phenylbenzamide

C17H17Cl2NO — CID 91801665

IUPACN-tert-butyl-2,4-dichloro-N-phenylbenzamide
SMILESCC(C)(C)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-17(2,3)20(13-7-5-4-6-8-13)16(21)14-10-9-12(18)11-15(14)19/h4-11H,1-3H3
InChIKeyXAOGMFOPFIVQRL-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.44
Rot. Bonds2

About N-tert-butyl-2,4-dichloro-N-phenylbenzamide

N-tert-butyl-2,4-dichloro-N-phenylbenzamide (PubChem CID 91801665) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-tert-butyl-2,4-dichloro-N-phenylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dichloro-N-phenylbenzamide
PubChem CID91801665
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-tert-butyl-2,4-dichloro-N-phenylbenzamide
SMILESCC(C)(C)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-17(2,3)20(13-7-5-4-6-8-13)16(21)14-10-9-12(18)11-15(14)19/h4-11H,1-3H3
InChIKeyXAOGMFOPFIVQRL-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
CID 90104796
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
CID 91542770
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
CID 5045349
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
CID 42706779
5-[3-(N-(2,4-dichlorobenzoyl)anilino)phenyl]thiophene-2-carboxylic acid
CID 67426759
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone
CID 55823668
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
tert-butyl 2-[benzyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 20779317

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dichloro-N-phenylbenzamide?
The IUPAC name of N-tert-butyl-2,4-dichloro-N-phenylbenzamide (CID 91801665) is N-tert-butyl-2,4-dichloro-N-phenylbenzamide.
What is the SMILES notation for N-tert-butyl-2,4-dichloro-N-phenylbenzamide?
The canonical SMILES for N-tert-butyl-2,4-dichloro-N-phenylbenzamide is CC(C)(C)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-tert-butyl-2,4-dichloro-N-phenylbenzamide?
The InChIKey is XAOGMFOPFIVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-17(2,3)20(13-7-5-4-6-8-13)16(21)14-10-9-12(18)11-15(14)19/h4-11H,1-3H3.
What are the key properties of N-tert-butyl-2,4-dichloro-N-phenylbenzamide?
N-tert-butyl-2,4-dichloro-N-phenylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dichloro-N-phenylbenzamide is sourced from PubChem (CID 91801665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).