(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate

C26H25Cl2NO2 — CID 141030166

IUPAC(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H25Cl2NO2/c27-22-15-23(28)17-25(16-22)31-26(30)29(18-19-7-3-1-4-8-19)24-13-11-21(12-14-24)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10,18H2
InChIKeyZPFJNYODYBTIPV-UHFFFAOYSA-N
MW454.40 g/mol
LogP8.25
Rot. Bonds5

About (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate

(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate (PubChem CID 141030166) has the molecular formula C26H25Cl2NO2 and a molecular weight of 454.40 g/mol. Its IUPAC name is (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate
PubChem CID141030166
Molecular FormulaC26H25Cl2NO2
Molecular Weight454.40 g/mol
Exact Mass453.13
IUPAC Name(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate
SMILESO=C(Oc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H25Cl2NO2/c27-22-15-23(28)17-25(16-22)31-26(30)29(18-19-7-3-1-4-8-19)24-13-11-21(12-14-24)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10,18H2
InChIKeyZPFJNYODYBTIPV-UHFFFAOYSA-N
XLogP8.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide
CID 141030230
(4-phenylphenyl) N-[(4-cyclohexylphenyl)methyl]-N-[3-(3-hydroxybut-3-enylcarbamoyl)phenyl]carbamate
CID 67489399
(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate
CID 20724307
phenyl N-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)carbamate
CID 140967749
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777
N-(1-benzylpiperidin-4-yl)-N-(4-cyclohexylphenyl)propanamide
CID 90316604
4-[[N-[1-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]benzoic acid
CID 67483833
4-[[N-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]-4-cyclohexylanilino]methyl]benzoic acid
CID 67483835
4-[[4-cyclohexyl-N-[(3,5-dichlorophenyl)methylcarbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549971
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
4-[(4-cyclohexylphenyl)methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]benzoic acid
CID 67485718
3-[[4-[(3-chloro-5-methylphenyl)methyl-(3,5-dichlorophenoxy)carbonylamino]benzoyl]amino]propanoic acid
CID 67489388

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate?
The IUPAC name of (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate (CID 141030166) is (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate.
What is the SMILES notation for (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate?
The canonical SMILES for (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate is O=C(Oc1cc(Cl)cc(Cl)c1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate?
The InChIKey is ZPFJNYODYBTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2NO2/c27-22-15-23(28)17-25(16-22)31-26(30)29(18-19-7-3-1-4-8-19)24-13-11-21(12-14-24)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10,18H2.
What are the key properties of (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate?
(3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate has a molecular weight of 454.40 g/mol, XLogP of 8.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) N-benzyl-N-(4-cyclohexylphenyl)carbamate is sourced from PubChem (CID 141030166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).