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

C27H26Cl2N2O3 — CID 44535285

IUPACN-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H26Cl2N2O3/c28-23-12-10-19(15-24(23)29)22-14-20(11-13-25(22)32)26(33)30-16-17-6-8-18(9-7-17)27(34)31-21-4-2-1-3-5-21/h6-15,21,32H,1-5,16H2,(H,30,33)(H,31,34)
InChIKeyINMUANVHKDGOCM-UHFFFAOYSA-N
MW497.42 g/mol
LogP6.36
Rot. Bonds6

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

N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (PubChem CID 44535285) has the molecular formula C27H26Cl2N2O3 and a molecular weight of 497.42 g/mol. Its IUPAC name is N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
PubChem CID44535285
Molecular FormulaC27H26Cl2N2O3
Molecular Weight497.42 g/mol
Exact Mass496.13
IUPAC NameN-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide
SMILESO=C(NCc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C27H26Cl2N2O3/c28-23-12-10-19(15-24(23)29)22-14-20(11-13-25(22)32)26(33)30-16-17-6-8-18(9-7-17)27(34)31-21-4-2-1-3-5-21/h6-15,21,32H,1-5,16H2,(H,30,33)(H,31,34)
InChIKeyINMUANVHKDGOCM-UHFFFAOYSA-N
XLogP6.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.42
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The IUPAC name of N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide (CID 44535285) is N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is O=C(NCc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
The InChIKey is INMUANVHKDGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O3/c28-23-12-10-19(15-24(23)29)22-14-20(11-13-25(22)32)26(33)30-16-17-6-8-18(9-7-17)27(34)31-21-4-2-1-3-5-21/h6-15,21,32H,1-5,16H2,(H,30,33)(H,31,34).
What are the key properties of N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide?
N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide has a molecular weight of 497.42 g/mol, XLogP of 6.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylcarbamoyl)phenyl]methyl]-3-(3,4-dichlorophenyl)-4-hydroxybenzamide is sourced from PubChem (CID 44535285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).