N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

C29H25ClN2O4 — CID 4051387

IUPACN-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25ClN2O4/c1-19-18-22(30)10-17-27(19)32-29(34)21-8-13-25(14-9-21)35-20(2)28(33)31-23-11-15-26(16-12-23)36-24-6-4-3-5-7-24/h3-18,20H,1-2H3,(H,31,33)(H,32,34)
InChIKeyPWZYDZSMZHXXGY-UHFFFAOYSA-N
MW500.98 g/mol
LogP7.10
Rot. Bonds8

About N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide

N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (PubChem CID 4051387) has the molecular formula C29H25ClN2O4 and a molecular weight of 500.98 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
PubChem CID4051387
Molecular FormulaC29H25ClN2O4
Molecular Weight500.98 g/mol
Exact Mass500.15
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25ClN2O4/c1-19-18-22(30)10-17-27(19)32-29(34)21-8-13-25(14-9-21)35-20(2)28(33)31-23-11-15-26(16-12-23)36-24-6-4-3-5-7-24/h3-18,20H,1-2H3,(H,31,33)(H,32,34)
InChIKeyPWZYDZSMZHXXGY-UHFFFAOYSA-N
XLogP7.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.98
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781731
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
methyl 2-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 3428091
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-[2,6-di(propan-2-yl)phenyl]-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4101668
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide (CID 4051387) is N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
The InChIKey is PWZYDZSMZHXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O4/c1-19-18-22(30)10-17-27(19)32-29(34)21-8-13-25(14-9-21)35-20(2)28(33)31-23-11-15-26(16-12-23)36-24-6-4-3-5-7-24/h3-18,20H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide?
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide has a molecular weight of 500.98 g/mol, XLogP of 7.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide is sourced from PubChem (CID 4051387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).