N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide

C26H27ClN2O4 — CID 44637774

IUPACN-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-5-18-8-6-7-16(2)24(18)29-25(30)17(3)33-21-12-9-19(10-13-21)26(31)28-20-11-14-23(32-4)22(27)15-20/h6-15,17H,5H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyROPQNIZCIHBQOP-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.88
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide

N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 44637774) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID44637774
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-5-18-8-6-7-16(2)24(18)29-25(30)17(3)33-21-12-9-19(10-13-21)26(31)28-20-11-14-23(32-4)22(27)15-20/h6-15,17H,5H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyROPQNIZCIHBQOP-UHFFFAOYSA-N
XLogP5.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 44637774) is N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide is CCc1cccc(C)c1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is ROPQNIZCIHBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-5-18-8-6-7-16(2)24(18)29-25(30)17(3)33-21-12-9-19(10-13-21)26(31)28-20-11-14-23(32-4)22(27)15-20/h6-15,17H,5H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 466.97 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 44637774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).