N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C26H26ClNO3 — CID 53266932

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C26H26ClNO3/c1-16(2)22-12-11-21(14-17(22)3)31-18(4)26(30)28-24-13-10-20(27)15-23(24)25(29)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,28,30)
InChIKeyOUDRMJFGAWYTAG-UHFFFAOYSA-N
MW435.95 g/mol
LogP6.41
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 53266932) has the molecular formula C26H26ClNO3 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID53266932
Molecular FormulaC26H26ClNO3
Molecular Weight435.95 g/mol
Exact Mass435.16
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C26H26ClNO3/c1-16(2)22-12-11-21(14-17(22)3)31-18(4)26(30)28-24-13-10-20(27)15-23(24)25(29)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,28,30)
InChIKeyOUDRMJFGAWYTAG-UHFFFAOYSA-N
XLogP6.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.95
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92681200
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 99952036
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 53266932) is N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C(C)C.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is OUDRMJFGAWYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO3/c1-16(2)22-12-11-21(14-17(22)3)31-18(4)26(30)28-24-13-10-20(27)15-23(24)25(29)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,28,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 435.95 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 53266932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).