4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide

C14H20ClNO3 — CID 110007455

IUPAC4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCCOc1cc(Cl)ccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C14H20ClNO3/c1-4-19-13-9-11(15)5-6-12(13)14(18)16(3)8-7-10(2)17/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyCTBHNXAGKQJQGX-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.58
Rot. Bonds6

About 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide

4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide (PubChem CID 110007455) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
PubChem CID110007455
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCCOc1cc(Cl)ccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C14H20ClNO3/c1-4-19-13-9-11(15)5-6-12(13)14(18)16(3)8-7-10(2)17/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyCTBHNXAGKQJQGX-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-hydroxybutyl)-N-methyl-2-nitrobenzamide
CID 111695702
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128987256
4-chloro-2-ethoxybenzamide
CID 126998915
5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 107185944
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide (CID 110007455) is 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide is CCOc1cc(Cl)ccc1C(=O)N(C)CCC(C)O.
What is the InChIKey of 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide?
The InChIKey is CTBHNXAGKQJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-19-13-9-11(15)5-6-12(13)14(18)16(3)8-7-10(2)17/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide?
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 110007455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).