3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

C24H24ClNO2 — CID 100583410

IUPAC3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-18-11-13-19(14-12-18)17(2)26-24(27)20-8-6-9-22(15-20)28-16-21-7-4-5-10-23(21)25/h4-15,17H,3,16H2,1-2H3,(H,26,27)/t17-/m0/s1
InChIKeyBTNLTHZDPZRZPC-KRWDZBQOSA-N
MW393.91 g/mol
LogP5.97
Rot. Bonds7

About 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 100583410) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
PubChem CID100583410
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-18-11-13-19(14-12-18)17(2)26-24(27)20-8-6-9-22(15-20)28-16-21-7-4-5-10-23(21)25/h4-15,17H,3,16H2,1-2H3,(H,26,27)/t17-/m0/s1
InChIKeyBTNLTHZDPZRZPC-KRWDZBQOSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132659858
3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100749590
3-[(2-chlorophenyl)methoxy]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 133189944
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 132666759
3-[(2-chlorophenyl)methoxy]-N-[(R)-(3-methylphenyl)-phenylmethyl]benzamide
CID 100749901
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
3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
CID 100749756
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (CID 100583410) is 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is BTNLTHZDPZRZPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-3-18-11-13-19(14-12-18)17(2)26-24(27)20-8-6-9-22(15-20)28-16-21-7-4-5-10-23(21)25/h4-15,17H,3,16H2,1-2H3,(H,26,27)/t17-/m0/s1.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 393.91 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 100583410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).