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

C22H20ClNO3 — CID 19628178

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1Cl
InChIInChI=1S/C22H20ClNO3/c1-26-21-12-11-17(15-19(21)23)24-22(25)18-9-5-6-10-20(18)27-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyBTCCKLWJCMKBTN-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.22
Rot. Bonds7

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

N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 19628178) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
PubChem CID19628178
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1Cl
InChIInChI=1S/C22H20ClNO3/c1-26-21-12-11-17(15-19(21)23)24-22(25)18-9-5-6-10-20(18)27-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyBTCCKLWJCMKBTN-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)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 26166889
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
N-(2,6-dichlorophenyl)-2-(2-phenylethoxy)benzamide
CID 54785858
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide (CID 19628178) is N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide is COc1ccc(NC(=O)c2ccccc2OCCc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is BTCCKLWJCMKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-26-21-12-11-17(15-19(21)23)24-22(25)18-9-5-6-10-20(18)27-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide?
N-(3-chloro-4-methoxyphenyl)-2-(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)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 19628178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).