N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide

C25H29ClFN5O2 — CID 142681719

IUPACN-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1ccc(-c2cc(Nc3ccc(Cl)cc3CF)ccc2O)nc1N
InChIInChI=1S/C25H29ClFN5O2/c1-3-32(4-2)15-24(34)29-14-16-5-8-22(31-25(16)28)20-12-19(7-10-23(20)33)30-21-9-6-18(26)11-17(21)13-27/h5-12,30,33H,3-4,13-15H2,1-2H3,(H2,28,31)(H,29,34)
InChIKeyHCGRZAHKZZAJBC-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.86
Rot. Bonds10

About N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide

N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide (PubChem CID 142681719) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide
PubChem CID142681719
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC NameN-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1ccc(-c2cc(Nc3ccc(Cl)cc3CF)ccc2O)nc1N
InChIInChI=1S/C25H29ClFN5O2/c1-3-32(4-2)15-24(34)29-14-16-5-8-22(31-25(16)28)20-12-19(7-10-23(20)33)30-21-9-6-18(26)11-17(21)13-27/h5-12,30,33H,3-4,13-15H2,1-2H3,(H2,28,31)(H,29,34)
InChIKeyHCGRZAHKZZAJBC-UHFFFAOYSA-N
XLogP4.86
TPSA103.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide (CID 142681719) is N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCc1ccc(-c2cc(Nc3ccc(Cl)cc3CF)ccc2O)nc1N.
What is the InChIKey of N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide?
The InChIKey is HCGRZAHKZZAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-3-32(4-2)15-24(34)29-14-16-5-8-22(31-25(16)28)20-12-19(7-10-23(20)33)30-21-9-6-18(26)11-17(21)13-27/h5-12,30,33H,3-4,13-15H2,1-2H3,(H2,28,31)(H,29,34).
What are the key properties of N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide?
N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide has a molecular weight of 485.99 g/mol, XLogP of 4.86, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 142681719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).