N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide

C21H19ClN2O2 — CID 112982593

IUPACN-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-6-16(7-9-17)14-23-18-10-12-19(13-11-18)24-21(25)15-26-20-4-2-1-3-5-20/h1-13,23H,14-15H2,(H,24,25)
InChIKeyKBZLLQUKFDPXIP-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.97
Rot. Bonds7

About N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide

N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide (PubChem CID 112982593) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
PubChem CID112982593
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-6-16(7-9-17)14-23-18-10-12-19(13-11-18)24-21(25)15-26-20-4-2-1-3-5-20/h1-13,23H,14-15H2,(H,24,25)
InChIKeyKBZLLQUKFDPXIP-UHFFFAOYSA-N
XLogP4.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide (CID 112982593) is N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide?
The InChIKey is KBZLLQUKFDPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-8-6-16(7-9-17)14-23-18-10-12-19(13-11-18)24-21(25)15-26-20-4-2-1-3-5-20/h1-13,23H,14-15H2,(H,24,25).
What are the key properties of N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide?
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide has a molecular weight of 366.85 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 112982593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).