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

C20H24ClNO3 — CID 27167034

IUPAC3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C20H24ClNO3/c1-13(2)9-10-25-19-16(21)11-15(12-18(19)24-4)20(23)22-17-8-6-5-7-14(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)
InChIKeyYUVAAGXAIHKSMP-UHFFFAOYSA-N
MW361.87 g/mol
LogP5.33
Rot. Bonds7

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

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide (PubChem CID 27167034) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
PubChem CID27167034
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C20H24ClNO3/c1-13(2)9-10-25-19-16(21)11-15(12-18(19)24-4)20(23)22-17-8-6-5-7-14(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,22,23)
InChIKeyYUVAAGXAIHKSMP-UHFFFAOYSA-N
XLogP5.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60606249
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide (CID 27167034) is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide?
The InChIKey is YUVAAGXAIHKSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13(2)9-10-25-19-16(21)11-15(12-18(19)24-4)20(23)22-17-8-6-5-7-14(17)3/h5-8,11-13H,9-10H2,1-4H3,(H,22,23).
What are the key properties of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide?
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide has a molecular weight of 361.87 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 27167034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).