N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide

C16H17ClN2O2 — CID 109038116

IUPACN-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-8-6-13(7-9-15)18-11-10-16(20)19-14-4-2-12(17)3-5-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyCBARKSTXDDBAJH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.79
Rot. Bonds6

About N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide

N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide (PubChem CID 109038116) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
PubChem CID109038116
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-8-6-13(7-9-15)18-11-10-16(20)19-14-4-2-12(17)3-5-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyCBARKSTXDDBAJH-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide (CID 109038116) is N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide?
The InChIKey is CBARKSTXDDBAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-8-6-13(7-9-15)18-11-10-16(20)19-14-4-2-12(17)3-5-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide?
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide has a molecular weight of 304.78 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109038116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).