N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide

C19H17Cl2FN4O2 — CID 89218459

IUPACN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Oc2cc(N)cc(Cl)c2)c1F)C(=O)c1cnc[nH]1
InChIInChI=1S/C19H17Cl2FN4O2/c1-2-26(19(27)16-8-24-10-25-16)9-11-3-4-15(21)18(17(11)22)28-14-6-12(20)5-13(23)7-14/h3-8,10H,2,9,23H2,1H3,(H,24,25)
InChIKeyPHRDFWLPYNWSTM-UHFFFAOYSA-N
MW423.28 g/mol
LogP4.89
Rot. Bonds6

About N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide

N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide (PubChem CID 89218459) has the molecular formula C19H17Cl2FN4O2 and a molecular weight of 423.28 g/mol. Its IUPAC name is N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide
PubChem CID89218459
Molecular FormulaC19H17Cl2FN4O2
Molecular Weight423.28 g/mol
Exact Mass422.07
IUPAC NameN-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide
SMILESCCN(Cc1ccc(Cl)c(Oc2cc(N)cc(Cl)c2)c1F)C(=O)c1cnc[nH]1
InChIInChI=1S/C19H17Cl2FN4O2/c1-2-26(19(27)16-8-24-10-25-16)9-11-3-4-15(21)18(17(11)22)28-14-6-12(20)5-13(23)7-14/h3-8,10H,2,9,23H2,1H3,(H,24,25)
InChIKeyPHRDFWLPYNWSTM-UHFFFAOYSA-N
XLogP4.89
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide (CID 89218459) is N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide is CCN(Cc1ccc(Cl)c(Oc2cc(N)cc(Cl)c2)c1F)C(=O)c1cnc[nH]1.
What is the InChIKey of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide?
The InChIKey is PHRDFWLPYNWSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O2/c1-2-26(19(27)16-8-24-10-25-16)9-11-3-4-15(21)18(17(11)22)28-14-6-12(20)5-13(23)7-14/h3-8,10H,2,9,23H2,1H3,(H,24,25).
What are the key properties of N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide?
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide has a molecular weight of 423.28 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-N-ethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 89218459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).