N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide

C24H24ClNO2 — CID 27449167

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C24H24ClNO2/c25-21-10-8-20(9-11-21)24(12-14-28-15-13-24)17-26-23(27)16-19-6-3-5-18-4-1-2-7-22(18)19/h1-11H,12-17H2,(H,26,27)
InChIKeyUFEOSNUFJQFBPD-UHFFFAOYSA-N
MW393.91 g/mol
LogP4.90
Rot. Bonds5

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 27449167) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID27449167
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C24H24ClNO2/c25-21-10-8-20(9-11-21)24(12-14-28-15-13-24)17-26-23(27)16-19-6-3-5-18-4-1-2-7-22(18)19/h1-11H,12-17H2,(H,26,27)
InChIKeyUFEOSNUFJQFBPD-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]buta-2,3-dienamide
CID 176519551
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 60573282
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide (CID 27449167) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UFEOSNUFJQFBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c25-21-10-8-20(9-11-21)24(12-14-28-15-13-24)17-26-23(27)16-19-6-3-5-18-4-1-2-7-22(18)19/h1-11H,12-17H2,(H,26,27).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 393.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 27449167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).