2,4-dichloro-N-pentan-3-ylbenzamide

C12H15Cl2NO — CID 884996

IUPAC2,4-dichloro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-9(4-2)15-12(16)10-6-5-8(13)7-11(10)14/h5-7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyBIRFOTBXHXGEBD-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.91
Rot. Bonds4

About 2,4-dichloro-N-pentan-3-ylbenzamide

2,4-dichloro-N-pentan-3-ylbenzamide (PubChem CID 884996) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2,4-dichloro-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-pentan-3-ylbenzamide
PubChem CID884996
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2,4-dichloro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-9(4-2)15-12(16)10-6-5-8(13)7-11(10)14/h5-7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyBIRFOTBXHXGEBD-UHFFFAOYSA-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

Analyze 2,4-dichloro-N-pentan-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
2-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-pentan-3-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-pentan-3-ylbenzamide (CID 884996) is 2,4-dichloro-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-pentan-3-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-pentan-3-ylbenzamide?
The InChIKey is BIRFOTBXHXGEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-9(4-2)15-12(16)10-6-5-8(13)7-11(10)14/h5-7,9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-N-pentan-3-ylbenzamide?
2,4-dichloro-N-pentan-3-ylbenzamide 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 2,4-dichloro-N-pentan-3-ylbenzamide is sourced from PubChem (CID 884996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).