3-chloro-4-methoxy-5-propan-2-yloxybenzamide

C11H14ClNO3 — CID 152687907

IUPAC3-chloro-4-methoxy-5-propan-2-yloxybenzamide
SMILESCOc1c(Cl)cc(C(N)=O)cc1OC(C)C
InChIInChI=1S/C11H14ClNO3/c1-6(2)16-9-5-7(11(13)14)4-8(12)10(9)15-3/h4-6H,1-3H3,(H2,13,14)
InChIKeyZOYRVVUHIGBCHC-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.23
Rot. Bonds4

About 3-chloro-4-methoxy-5-propan-2-yloxybenzamide

3-chloro-4-methoxy-5-propan-2-yloxybenzamide (PubChem CID 152687907) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-chloro-4-methoxy-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-5-propan-2-yloxybenzamide
PubChem CID152687907
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-chloro-4-methoxy-5-propan-2-yloxybenzamide
SMILESCOc1c(Cl)cc(C(N)=O)cc1OC(C)C
InChIInChI=1S/C11H14ClNO3/c1-6(2)16-9-5-7(11(13)14)4-8(12)10(9)15-3/h4-6H,1-3H3,(H2,13,14)
InChIKeyZOYRVVUHIGBCHC-UHFFFAOYSA-N
XLogP2.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637
[(2R)-1-amino-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7362860
[(2S)-1-amino-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711880
N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
[(2R)-1-amino-1-oxopropan-2-yl] 3,5-dichloro-4-methoxybenzoate
CID 9126007
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3-bromo-4,5-dimethoxybenzamide
CID 900808
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
CID 10542024

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-4-methoxy-5-propan-2-yloxybenzamide (CID 152687907) is 3-chloro-4-methoxy-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-4-methoxy-5-propan-2-yloxybenzamide is COc1c(Cl)cc(C(N)=O)cc1OC(C)C.
What is the InChIKey of 3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The InChIKey is ZOYRVVUHIGBCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6(2)16-9-5-7(11(13)14)4-8(12)10(9)15-3/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
3-chloro-4-methoxy-5-propan-2-yloxybenzamide has a molecular weight of 243.69 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-5-propan-2-yloxybenzamide is sourced from PubChem (CID 152687907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).