5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide

C12H16ClNO2 — CID 110762952

IUPAC5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO2/c1-7(2)14-12(15)10-6-9(13)5-8(3)11(10)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyXEYFEXRHBWDVHJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide

5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide (PubChem CID 110762952) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
PubChem CID110762952
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)NC(C)C
InChIInChI=1S/C12H16ClNO2/c1-7(2)14-12(15)10-6-9(13)5-8(3)11(10)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyXEYFEXRHBWDVHJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
CID 116826612
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
(2E,4E)-5-(5-chloro-2-methoxy-3-methylphenyl)hexa-2,4-dienoic acid
CID 116822547
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide (CID 110762952) is 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide is COc1c(C)cc(Cl)cc1C(=O)NC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is XEYFEXRHBWDVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(2)14-12(15)10-6-9(13)5-8(3)11(10)16-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide?
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 110762952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).