phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate

C20H21ClN2O3 — CID 177382626

IUPACphenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate
SMILESO=C(NC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1)Oc1ccccc1
InChIInChI=1S/C20H21ClN2O3/c21-15-9-11-16(12-10-15)22-18(24)20(13-5-2-6-14-20)23-19(25)26-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,24)(H,23,25)
InChIKeyCWPJUPCOMWMTBP-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.77
Rot. Bonds4

About phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate

phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate (PubChem CID 177382626) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate
PubChem CID177382626
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Namephenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate
SMILESO=C(NC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1)Oc1ccccc1
InChIInChI=1S/C20H21ClN2O3/c21-15-9-11-16(12-10-15)22-18(24)20(13-5-2-6-14-20)23-19(25)26-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,24)(H,23,25)
InChIKeyCWPJUPCOMWMTBP-UHFFFAOYSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[1-(thiophen-3-ylcarbamoyl)cyclohexyl]carbamate
CID 177382618
phenyl N-(1-methylcyclodecyl)carbamate
CID 130359275
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
CID 155818871
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
CID 169322843
1-[(2-chloroacetyl)amino]-N-phenylcyclopropane-1-carboxamide
CID 167802535
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate?
The IUPAC name of phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate (CID 177382626) is phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate is O=C(NC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate?
The InChIKey is CWPJUPCOMWMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-15-9-11-16(12-10-15)22-18(24)20(13-5-2-6-14-20)23-19(25)26-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-14H2,(H,22,24)(H,23,25).
What are the key properties of phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate?
phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate has a molecular weight of 372.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[(4-chlorophenyl)carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 177382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).