N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide

C20H22ClNO4 — CID 67977848

IUPACN-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OC(C)C
InChIInChI=1S/C20H22ClNO4/c1-11(2)26-18-10-14(9-17(21)19(18)25-5)20(24)22-15-6-7-16(13(4)23)12(3)8-15/h6-11H,1-5H3,(H,22,24)
InChIKeyQSIHMJCFOFSHBZ-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.90
Rot. Bonds6

About N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide

N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide (PubChem CID 67977848) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
PubChem CID67977848
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC NameN-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OC(C)C
InChIInChI=1S/C20H22ClNO4/c1-11(2)26-18-10-14(9-17(21)19(18)25-5)20(24)22-15-6-7-16(13(4)23)12(3)8-15/h6-11H,1-5H3,(H,22,24)
InChIKeyQSIHMJCFOFSHBZ-UHFFFAOYSA-N
XLogP4.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
CID 67977734
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid
CID 51034761
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 152687907
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
CID 88538932
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The IUPAC name of N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide (CID 67977848) is N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OC(C)C.
What is the InChIKey of N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
The InChIKey is QSIHMJCFOFSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-11(2)26-18-10-14(9-17(21)19(18)25-5)20(24)22-15-6-7-16(13(4)23)12(3)8-15/h6-11H,1-5H3,(H,22,24).
What are the key properties of N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide?
N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide has a molecular weight of 375.85 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide is sourced from PubChem (CID 67977848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).