3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide

C19H22ClNO3 — CID 2599000

IUPAC3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H22ClNO3/c1-12(2)11-24-18-15(20)9-14(10-17(18)23-4)19(22)21-16-8-6-5-7-13(16)3/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyPXGXJDVDIFRODR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.94
Rot. Bonds6

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

3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 2599000) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
PubChem CID2599000
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H22ClNO3/c1-12(2)11-24-18-15(20)9-14(10-17(18)23-4)19(22)21-16-8-6-5-7-13(16)3/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyPXGXJDVDIFRODR-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide (CID 2599000) is 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is PXGXJDVDIFRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-12(2)11-24-18-15(20)9-14(10-17(18)23-4)19(22)21-16-8-6-5-7-13(16)3/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide?
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.94, 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 2599000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).