N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide

C18H20Cl2N2O2 — CID 109028066

IUPACN-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-24-17-7-6-15(20)12-16(17)22-18(23)9-11-21-10-8-13-2-4-14(19)5-3-13/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeySNZUZPRTNKXHME-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.16
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide (PubChem CID 109028066) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
PubChem CID109028066
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O2/c1-24-17-7-6-15(20)12-16(17)22-18(23)9-11-21-10-8-13-2-4-14(19)5-3-13/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeySNZUZPRTNKXHME-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide (CID 109028066) is N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide is COc1ccc(Cl)cc1NC(=O)CCNCCc1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
The InChIKey is SNZUZPRTNKXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-24-17-7-6-15(20)12-16(17)22-18(23)9-11-21-10-8-13-2-4-14(19)5-3-13/h2-7,12,21H,8-11H2,1H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide has a molecular weight of 367.28 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109028066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).