(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate

C20H29ClN2O — CID 141252605

IUPAC(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
SMILESClc1ccccc1CO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O/c21-19-14-8-7-9-16(19)15-24-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13,15H2,(H,22,23)
InChIKeyPWEXJVUEYVIJIW-UHFFFAOYSA-N
MW348.92 g/mol
LogP5.47
Rot. Bonds4

About (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate

(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate (PubChem CID 141252605) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
PubChem CID141252605
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
SMILESClc1ccccc1CO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H29ClN2O/c21-19-14-8-7-9-16(19)15-24-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13,15H2,(H,22,23)
InChIKeyPWEXJVUEYVIJIW-UHFFFAOYSA-N
XLogP5.47
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.92
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
2-[3-(2-chlorophenyl)propyl]-1-cyclohexylguanidine
CID 111806872
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
CID 10935348
O-[(2,4-dichlorophenyl)methyl] N-cyclohexylcarbamothioate
CID 27101870
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
(2-chlorophenyl)methyl 2-amino-2-cyclopropylacetate
CID 62697560
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
CID 90959885
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate (CID 141252605) is (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate is Clc1ccccc1CO/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate?
The InChIKey is PWEXJVUEYVIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O/c21-19-14-8-7-9-16(19)15-24-20(22-17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13,15H2,(H,22,23).
What are the key properties of (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate?
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate has a molecular weight of 348.92 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 141252605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).