N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide

C21H22ClNO4 — CID 67977860

IUPACN-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC1CCC1
InChIInChI=1S/C21H22ClNO4/c1-3-26-20-18(22)11-15(12-19(20)27-17-5-4-6-17)21(25)23-16-9-7-14(8-10-16)13(2)24/h7-12,17H,3-6H2,1-2H3,(H,23,25)
InChIKeyPIUMHWHCMYRXFL-UHFFFAOYSA-N
MW387.86 g/mol
LogP5.12
Rot. Bonds7

About N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide

N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide (PubChem CID 67977860) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
PubChem CID67977860
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC NameN-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC1CCC1
InChIInChI=1S/C21H22ClNO4/c1-3-26-20-18(22)11-15(12-19(20)27-17-5-4-6-17)21(25)23-16-9-7-14(8-10-16)13(2)24/h7-12,17H,3-6H2,1-2H3,(H,23,25)
InChIKeyPIUMHWHCMYRXFL-UHFFFAOYSA-N
XLogP5.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide
CID 67977861
N-(4-acetyl-3-hydroxyphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetyl-3-hydroxyphenyl)-3-chloro-4,5-di(propan-2-yloxy)benzamide;N-(4-acetyl-3-methylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide;N-(4-acetylphenyl)-3-chloro-4,5-di(cyclobutyloxy)benzamide
CID 161170611
cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)amino]benzoate
CID 17128645
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
3-chloro-4,5-dicyclopentyloxybenzoic acid;methyl 4-aminobenzoate;methyl 4-[(3-chloro-4,5-dicyclopentyloxybenzoyl)amino]benzoate
CID 159957850
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 51034535
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide (CID 67977860) is N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC1CCC1.
What is the InChIKey of N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide?
The InChIKey is PIUMHWHCMYRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c1-3-26-20-18(22)11-15(12-19(20)27-17-5-4-6-17)21(25)23-16-9-7-14(8-10-16)13(2)24/h7-12,17H,3-6H2,1-2H3,(H,23,25).
What are the key properties of N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide?
N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide has a molecular weight of 387.86 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-chloro-5-cyclobutyloxy-4-ethoxybenzamide is sourced from PubChem (CID 67977860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).