N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide

C28H23ClN2O3 — CID 43887670

IUPACN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23ClN2O3/c1-19(34-26-10-6-5-9-25(26)29)27(32)30-23-15-17-24(18-16-23)31-28(33)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-19H,1H3,(H,30,32)(H,31,33)
InChIKeyDCQIPPRCQDCMHV-UHFFFAOYSA-N
MW470.96 g/mol
LogP6.67
Rot. Bonds7

About N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide

N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide (PubChem CID 43887670) has the molecular formula C28H23ClN2O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
PubChem CID43887670
Molecular FormulaC28H23ClN2O3
Molecular Weight470.96 g/mol
Exact Mass470.14
IUPAC NameN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23ClN2O3/c1-19(34-26-10-6-5-9-25(26)29)27(32)30-23-15-17-24(18-16-23)31-28(33)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-19H,1H3,(H,30,32)(H,31,33)
InChIKeyDCQIPPRCQDCMHV-UHFFFAOYSA-N
XLogP6.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
CID 43887800
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43888041
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 43888101
N-[4-[[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamoyl]phenyl]benzamide
CID 2210922
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide (CID 43887670) is N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide?
The InChIKey is DCQIPPRCQDCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O3/c1-19(34-26-10-6-5-9-25(26)29)27(32)30-23-15-17-24(18-16-23)31-28(33)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-19H,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide?
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide has a molecular weight of 470.96 g/mol, XLogP of 6.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 43887670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).