3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide

C14H20ClNO3 — CID 56862267

IUPAC3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)cc(C(=O)N(C)CCC(C)(C)O)c1
InChIInChI=1S/C14H20ClNO3/c1-14(2,18)5-6-16(3)13(17)10-7-11(15)9-12(8-10)19-4/h7-9,18H,5-6H2,1-4H3
InChIKeyDXUYOAIEJXTYCR-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.58
Rot. Bonds5

About 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide

3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide (PubChem CID 56862267) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide
PubChem CID56862267
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide
SMILESCOc1cc(Cl)cc(C(=O)N(C)CCC(C)(C)O)c1
InChIInChI=1S/C14H20ClNO3/c1-14(2,18)5-6-16(3)13(17)10-7-11(15)9-12(8-10)19-4/h7-9,18H,5-6H2,1-4H3
InChIKeyDXUYOAIEJXTYCR-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(2-bromoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 80659809
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
CID 134658373
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
3-[2-(dimethylamino)ethyl-methylcarbamoyl]-5-methoxybenzoic acid;formic acid
CID 154905672
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide (CID 56862267) is 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide is COc1cc(Cl)cc(C(=O)N(C)CCC(C)(C)O)c1.
What is the InChIKey of 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide?
The InChIKey is DXUYOAIEJXTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,18)5-6-16(3)13(17)10-7-11(15)9-12(8-10)19-4/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide?
3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 56862267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).