N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide

C24H20Cl2N2O3 — CID 46100609

IUPACN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N(Cc1cccc(Cl)c1)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C24H20Cl2N2O3/c25-19-8-4-7-18(11-19)13-28(24(29)16-30-15-17-5-2-1-3-6-17)14-23-27-21-12-20(26)9-10-22(21)31-23/h1-12H,13-16H2
InChIKeyNEFKNUJGKCPLTK-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.88
Rot. Bonds8

About N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide

N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide (PubChem CID 46100609) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide
PubChem CID46100609
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N(Cc1cccc(Cl)c1)Cc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C24H20Cl2N2O3/c25-19-8-4-7-18(11-19)13-28(24(29)16-30-15-17-5-2-1-3-6-17)14-23-27-21-12-20(26)9-10-22(21)31-23/h1-12H,13-16H2
InChIKeyNEFKNUJGKCPLTK-UHFFFAOYSA-N
XLogP5.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-phenoxypropanamide
CID 92771917
6-chloro-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 46099567
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
CID 46099550
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-3,4-difluorobenzamide
CID 46099551
N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 46099522
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-propylsulfanylpyridine-3-carboxamide
CID 46100597
3-chloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46100582
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-1,3-benzoxazol-5-amine
CID 79959763
2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099523
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylmethoxyacetamide
CID 3977868

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide (CID 46100609) is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)N(Cc1cccc(Cl)c1)Cc1nc2cc(Cl)ccc2o1.
What is the InChIKey of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is NEFKNUJGKCPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c25-19-8-4-7-18(11-19)13-28(24(29)16-30-15-17-5-2-1-3-6-17)14-23-27-21-12-20(26)9-10-22(21)31-23/h1-12H,13-16H2.
What are the key properties of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide?
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 455.34 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 46100609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).