N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide

C19H23ClN2O3 — CID 109039089

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)21-11-10-19(23)22-17-12-14(20)4-9-18(17)24-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyUGCJDLGPROSAOW-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.58
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide (PubChem CID 109039089) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
PubChem CID109039089
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)21-11-10-19(23)22-17-12-14(20)4-9-18(17)24-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyUGCJDLGPROSAOW-UHFFFAOYSA-N
XLogP4.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide (CID 109039089) is N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide is COc1ccc(Cl)cc1NC(=O)CCNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is UGCJDLGPROSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)21-11-10-19(23)22-17-12-14(20)4-9-18(17)24-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 362.86 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109039089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).