N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide

C32H36ClNO2 — CID 174503725

IUPACN-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
SMILESO=C(c1cccc(COc2ccc(C3CCCCC3)cc2)c1)N(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C32H36ClNO2/c33-28-13-8-16-30(22-28)34(29-14-5-2-6-15-29)32(35)27-12-7-9-24(21-27)23-36-31-19-17-26(18-20-31)25-10-3-1-4-11-25/h7-9,12-13,16-22,25,29H,1-6,10-11,14-15,23H2
InChIKeyHHISLLZLPDTXCU-UHFFFAOYSA-N
MW502.10 g/mol
LogP8.95
Rot. Bonds7

About N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide

N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide (PubChem CID 174503725) has the molecular formula C32H36ClNO2 and a molecular weight of 502.10 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
PubChem CID174503725
Molecular FormulaC32H36ClNO2
Molecular Weight502.10 g/mol
Exact Mass501.24
IUPAC NameN-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
SMILESO=C(c1cccc(COc2ccc(C3CCCCC3)cc2)c1)N(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C32H36ClNO2/c33-28-13-8-16-30(22-28)34(29-14-5-2-6-15-29)32(35)27-12-7-9-24(21-27)23-36-31-19-17-26(18-20-31)25-10-3-1-4-11-25/h7-9,12-13,16-22,25,29H,1-6,10-11,14-15,23H2
InChIKeyHHISLLZLPDTXCU-UHFFFAOYSA-N
XLogP8.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.10
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
CID 174503718
N-(3-chlorophenyl)-3-[[4-(2-cyclopentylphenyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 174503803
N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
CID 175598957
3-[(4-piperidin-3-ylphenoxy)methyl]benzoic acid
CID 117100164
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate
CID 141030166

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide (CID 174503725) is N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide is O=C(c1cccc(COc2ccc(C3CCCCC3)cc2)c1)N(c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide?
The InChIKey is HHISLLZLPDTXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClNO2/c33-28-13-8-16-30(22-28)34(29-14-5-2-6-15-29)32(35)27-12-7-9-24(21-27)23-36-31-19-17-26(18-20-31)25-10-3-1-4-11-25/h7-9,12-13,16-22,25,29H,1-6,10-11,14-15,23H2.
What are the key properties of N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide?
N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide has a molecular weight of 502.10 g/mol, XLogP of 8.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide is sourced from PubChem (CID 174503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).