3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide

C12H15Cl2NO2 — CID 51217200

IUPAC3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)6-15-12(16)8-4-9(13)11(17-3)10(14)5-8/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyPPTOPGYJWHYRFW-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.39
Rot. Bonds4

About 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide

3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 51217200) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID51217200
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)6-15-12(16)8-4-9(13)11(17-3)10(14)5-8/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyPPTOPGYJWHYRFW-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide 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

3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide (CID 51217200) is 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide is COc1c(Cl)cc(C(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is PPTOPGYJWHYRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-7(2)6-15-12(16)8-4-9(13)11(17-3)10(14)5-8/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide?
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 276.16 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51217200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).