N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide

C19H23ClN2O2 — CID 109036911

IUPACN-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-13(2)14-4-6-15(7-5-14)21-11-10-19(23)22-16-8-9-18(24-3)17(20)12-16/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyGWJZHSSRROIEEM-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.91
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide (PubChem CID 109036911) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
PubChem CID109036911
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-13(2)14-4-6-15(7-5-14)21-11-10-19(23)22-16-8-9-18(24-3)17(20)12-16/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyGWJZHSSRROIEEM-UHFFFAOYSA-N
XLogP4.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide (CID 109036911) is N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide is COc1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide?
The InChIKey is GWJZHSSRROIEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)14-4-6-15(7-5-14)21-11-10-19(23)22-16-8-9-18(24-3)17(20)12-16/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide has a molecular weight of 346.86 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109036911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).