3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide

C18H20ClNO3 — CID 4288200

IUPAC3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-9-23-17-14(19)10-13(11-16(17)22-3)18(21)20-15-8-6-5-7-12(15)2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyCFRBAJXVSLOBBN-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.70
Rot. Bonds6

About 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide

3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide (PubChem CID 4288200) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
PubChem CID4288200
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-9-23-17-14(19)10-13(11-16(17)22-3)18(21)20-15-8-6-5-7-12(15)2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)
InChIKeyCFRBAJXVSLOBBN-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide (CID 4288200) is 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide?
The InChIKey is CFRBAJXVSLOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-9-23-17-14(19)10-13(11-16(17)22-3)18(21)20-15-8-6-5-7-12(15)2/h5-8,10-11H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide?
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide has a molecular weight of 333.82 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 4288200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).