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

C12H15Cl2NO — CID 879609

IUPAC3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyARDYECYBETXQFD-QMMMGPOBSA-N
MW260.16 g/mol
LogP3.91
Rot. Bonds4

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

3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide (PubChem CID 879609) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
PubChem CID879609
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyARDYECYBETXQFD-QMMMGPOBSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.91
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)-4-methylpentan-2-yl]benzamide
CID 59897100
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
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide (CID 879609) is 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide is CCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide?
The InChIKey is ARDYECYBETXQFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide?
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide has a molecular weight of 260.16 g/mol, XLogP of 3.91, 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)-pentan-2-yl]benzamide is sourced from PubChem (CID 879609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).