N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide

C22H20ClNO3 — CID 17134395

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClNO3/c1-26-21-11-10-18(15-20(21)23)24-22(25)17-8-5-9-19(14-17)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25)
InChIKeyBJGMDMMWWWFMCU-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.22
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide

N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide (PubChem CID 17134395) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
PubChem CID17134395
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C22H20ClNO3/c1-26-21-11-10-18(15-20(21)23)24-22(25)17-8-5-9-19(14-17)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25)
InChIKeyBJGMDMMWWWFMCU-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
N-[(3-chloro-4-methylphenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134668
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738693
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide (CID 17134395) is N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide is COc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide?
The InChIKey is BJGMDMMWWWFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-26-21-11-10-18(15-20(21)23)24-22(25)17-8-5-9-19(14-17)27-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide has a molecular weight of 381.86 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17134395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).