N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide

C17H17Cl2NO — CID 966188

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-3-11(2)12-4-7-14(8-5-12)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyGWRWCXOUUZPXHS-LLVKDONJSA-N
MW322.24 g/mol
LogP5.76
Rot. Bonds4

About N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide

N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide (PubChem CID 966188) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
PubChem CID966188
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-3-11(2)12-4-7-14(8-5-12)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyGWRWCXOUUZPXHS-LLVKDONJSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
N-(4-butan-2-ylphenyl)-5-chloro-2-hydroxybenzenecarbothioamide
CID 135491475
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62238383
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide (CID 966188) is N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide is CC[C@@H](C)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide?
The InChIKey is GWRWCXOUUZPXHS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-3-11(2)12-4-7-14(8-5-12)20-17(21)15-10-13(18)6-9-16(15)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide has a molecular weight of 322.24 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 966188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).