N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide

C26H28ClNO2 — CID 132666759

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28ClNO2/c1-18(19-9-13-22(14-10-19)26(2,3)4)28-25(29)20-11-15-23(16-12-20)30-17-21-7-5-6-8-24(21)27/h5-16,18H,17H2,1-4H3,(H,28,29)
InChIKeyLBFYUFPDQJPTET-UHFFFAOYSA-N
MW421.97 g/mol
LogP6.71
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide

N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 132666759) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
PubChem CID132666759
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
SMILESCC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28ClNO2/c1-18(19-9-13-22(14-10-19)26(2,3)4)28-25(29)20-11-15-23(16-12-20)30-17-21-7-5-6-8-24(21)27/h5-16,18H,17H2,1-4H3,(H,28,29)
InChIKeyLBFYUFPDQJPTET-UHFFFAOYSA-N
XLogP6.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 133165582
4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190710
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100583410
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-[(2-chlorophenyl)methoxy]-3-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 25352738

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide (CID 132666759) is N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide is CC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is LBFYUFPDQJPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-18(19-9-13-22(14-10-19)26(2,3)4)28-25(29)20-11-15-23(16-12-20)30-17-21-7-5-6-8-24(21)27/h5-16,18H,17H2,1-4H3,(H,28,29).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide?
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 421.97 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 132666759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).