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

C18H15Cl2FN4O3 — CID 89218680

IUPACN-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
SMILESCOc1cc(N)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1
InChIInChI=1S/C18H15Cl2FN4O3/c1-27-11-4-10(22)5-12(6-11)28-16-13(19)3-2-9(14(16)21)7-23-18(26)15-17(20)25-8-24-15/h2-6,8H,7,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyFCJGQVRYNKXMNQ-UHFFFAOYSA-N
MW425.25 g/mol
LogP4.17
Rot. Bonds6

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

N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide (PubChem CID 89218680) has the molecular formula C18H15Cl2FN4O3 and a molecular weight of 425.25 g/mol. Its IUPAC name is N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
PubChem CID89218680
Molecular FormulaC18H15Cl2FN4O3
Molecular Weight425.25 g/mol
Exact Mass424.05
IUPAC NameN-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
SMILESCOc1cc(N)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1
InChIInChI=1S/C18H15Cl2FN4O3/c1-27-11-4-10(22)5-12(6-11)28-16-13(19)3-2-9(14(16)21)7-23-18(26)15-17(20)25-8-24-15/h2-6,8H,7,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyFCJGQVRYNKXMNQ-UHFFFAOYSA-N
XLogP4.17
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-amino-5-but-1-ynylphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218764
N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218707
5-chloro-N-[[4-chloro-3-[3-cyano-5-[(dimethylamino)methyl]phenoxy]-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 25128104
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]pyridine-2-carboxamide
CID 89218603
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-bromo-2-(methoxymethyl)-1H-imidazole-4-carboxamide
CID 89218682
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 89218724
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-4-methylthiadiazole-5-carboxamide
CID 89218499
N-[[3-[3-amino-5-(trifluoromethyl)phenoxy]-4-chloro-2-fluorophenyl]methyl]-3-chloro-1H-pyrrole-2-carboxamide
CID 89218467
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 89041799
2-N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-N,5-N,3-trimethyl-1H-pyrrole-2,5-dicarboxamide
CID 89218563
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89218720
5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-ethyl-1H-imidazole-4-carboxamide
CID 59451438

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide (CID 89218680) is N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide is COc1cc(N)cc(Oc2c(Cl)ccc(CNC(=O)c3nc[nH]c3Cl)c2F)c1.
What is the InChIKey of N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
The InChIKey is FCJGQVRYNKXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4O3/c1-27-11-4-10(22)5-12(6-11)28-16-13(19)3-2-9(14(16)21)7-23-18(26)15-17(20)25-8-24-15/h2-6,8H,7,22H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide?
N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide has a molecular weight of 425.25 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 89218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).