N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide

C28H28Cl2N2O3 — CID 44535306

IUPACN-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NC2CCCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C28H28Cl2N2O3/c29-24-13-11-20(16-25(24)30)23-15-21(12-14-26(23)33)27(34)31-17-18-7-9-19(10-8-18)28(35)32-22-5-3-1-2-4-6-22/h7-16,22,33H,1-6,17H2,(H,31,34)(H,32,35)
InChIKeyXNOREXBUXOZLMZ-UHFFFAOYSA-N
MW511.45 g/mol
LogP6.75
Rot. Bonds6

About N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide

N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (PubChem CID 44535306) has the molecular formula C28H28Cl2N2O3 and a molecular weight of 511.45 g/mol. Its IUPAC name is N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
PubChem CID44535306
Molecular FormulaC28H28Cl2N2O3
Molecular Weight511.45 g/mol
Exact Mass510.15
IUPAC NameN-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NC2CCCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C28H28Cl2N2O3/c29-24-13-11-20(16-25(24)30)23-15-21(12-14-26(23)33)27(34)31-17-18-7-9-19(10-8-18)28(35)32-22-5-3-1-2-4-6-22/h7-16,22,33H,1-6,17H2,(H,31,34)(H,32,35)
InChIKeyXNOREXBUXOZLMZ-UHFFFAOYSA-N
XLogP6.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The IUPAC name of N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (CID 44535306) is N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is O=C(NCc1ccc(C(=O)NC2CCCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The InChIKey is XNOREXBUXOZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O3/c29-24-13-11-20(16-25(24)30)23-15-21(12-14-26(23)33)27(34)31-17-18-7-9-19(10-8-18)28(35)32-22-5-3-1-2-4-6-22/h7-16,22,33H,1-6,17H2,(H,31,34)(H,32,35).
What are the key properties of N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide has a molecular weight of 511.45 g/mol, XLogP of 6.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cycloheptylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 44535306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).