N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide

C25H25ClN2O4 — CID 2968265

IUPACN-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1
InChIInChI=1S/C25H25ClN2O4/c1-4-17-5-9-19(10-6-17)27-24(29)16(2)32-21-12-7-18(8-13-21)25(30)28-20-11-14-23(31-3)22(26)15-20/h5-16H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyRNZCQGORSBNNIA-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.57
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 2968265) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID2968265
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1
InChIInChI=1S/C25H25ClN2O4/c1-4-17-5-9-19(10-6-17)27-24(29)16(2)32-21-12-7-18(8-13-21)25(30)28-20-11-14-23(31-3)22(26)15-20/h5-16H,4H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyRNZCQGORSBNNIA-UHFFFAOYSA-N
XLogP5.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
(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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 2968265) is N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide is CCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is RNZCQGORSBNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-4-17-5-9-19(10-6-17)27-24(29)16(2)32-21-12-7-18(8-13-21)25(30)28-20-11-14-23(31-3)22(26)15-20/h5-16H,4H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 452.94 g/mol, XLogP of 5.57, 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-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 2968265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).