3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C19H23ClN2O3 — CID 52782436

IUPAC3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)22-19(23)10-11-21-17-12-14(20)4-9-18(17)24-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyMQRGPQBPSXANKR-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.58
Rot. Bonds8

About 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 52782436) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID52782436
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)22-19(23)10-11-21-17-12-14(20)4-9-18(17)24-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyMQRGPQBPSXANKR-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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 52782436) is 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is MQRGPQBPSXANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13(2)25-16-7-5-15(6-8-16)22-19(23)10-11-21-17-12-14(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 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)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 3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 52782436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).