3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide

C13H17Cl2NO — CID 59897100

IUPAC3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)6-9(3)16-13(17)10-4-5-11(14)12(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyYVMOOCYQIIQIMK-VIFPVBQESA-N
MW274.19 g/mol
LogP4.16
Rot. Bonds4

About 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide

3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide (PubChem CID 59897100) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
PubChem CID59897100
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-8(2)6-9(3)16-13(17)10-4-5-11(14)12(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyYVMOOCYQIIQIMK-VIFPVBQESA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 157235630
N-[(2S)-6-aminohexan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 158295050
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide (CID 59897100) is 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide is CC(C)C[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide?
The InChIKey is YVMOOCYQIIQIMK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)6-9(3)16-13(17)10-4-5-11(14)12(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide?
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide has a molecular weight of 274.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 59897100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).