N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide

C25H20ClNO2 — CID 2944649

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO2/c26-22-13-10-20(11-14-22)25(19-7-2-1-3-8-19)27-24(28)17-29-23-15-12-18-6-4-5-9-21(18)16-23/h1-16,25H,17H2,(H,27,28)
InChIKeyHHYFLUSRZLGIGR-UHFFFAOYSA-N
MW401.89 g/mol
LogP5.78
Rot. Bonds6

About N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 2944649) has the molecular formula C25H20ClNO2 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID2944649
Molecular FormulaC25H20ClNO2
Molecular Weight401.89 g/mol
Exact Mass401.12
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClNO2/c26-22-13-10-20(11-14-22)25(19-7-2-1-3-8-19)27-24(28)17-29-23-15-12-18-6-4-5-9-21(18)16-23/h1-16,25H,17H2,(H,27,28)
InChIKeyHHYFLUSRZLGIGR-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.89
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide (CID 2944649) is N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is HHYFLUSRZLGIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO2/c26-22-13-10-20(11-14-22)25(19-7-2-1-3-8-19)27-24(28)17-29-23-15-12-18-6-4-5-9-21(18)16-23/h1-16,25H,17H2,(H,27,28).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 401.89 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 2944649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).