N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

C19H19Cl3N2O2 — CID 4043146

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C19H19Cl3N2O2/c1-12-8-13(20)9-16(22)19(12)26-11-18(25)23-14-4-5-17(15(21)10-14)24-6-2-3-7-24/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,23,25)
InChIKeyJNKFNBDUDMHEAT-UHFFFAOYSA-N
MW413.73 g/mol
LogP5.57
Rot. Bonds5

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (PubChem CID 4043146) has the molecular formula C19H19Cl3N2O2 and a molecular weight of 413.73 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
PubChem CID4043146
Molecular FormulaC19H19Cl3N2O2
Molecular Weight413.73 g/mol
Exact Mass412.05
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C19H19Cl3N2O2/c1-12-8-13(20)9-16(22)19(12)26-11-18(25)23-14-4-5-17(15(21)10-14)24-6-2-3-7-24/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,23,25)
InChIKeyJNKFNBDUDMHEAT-UHFFFAOYSA-N
XLogP5.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914368
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892762
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4021519
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17111731
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 43914828

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (CID 4043146) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The InChIKey is JNKFNBDUDMHEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O2/c1-12-8-13(20)9-16(22)19(12)26-11-18(25)23-14-4-5-17(15(21)10-14)24-6-2-3-7-24/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide has a molecular weight of 413.73 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 4043146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).