2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide

C12H15Cl2NO3 — CID 114211333

IUPAC2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
SMILESCOCCC(CO)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-18-5-4-9(7-16)15-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyFKRZNUMUDGFOCZ-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.12
Rot. Bonds6

About 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide

2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide (PubChem CID 114211333) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
PubChem CID114211333
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
SMILESCOCCC(CO)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-18-5-4-9(7-16)15-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyFKRZNUMUDGFOCZ-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)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

2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
5-bromo-N-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzamide
CID 114210719
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide (CID 114211333) is 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide is COCCC(CO)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide?
The InChIKey is FKRZNUMUDGFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-18-5-4-9(7-16)15-12(17)10-6-8(13)2-3-11(10)14/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide?
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide has a molecular weight of 292.16 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 114211333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).