(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate

C14H18ClNO3 — CID 141050189

IUPAC(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
SMILESO=C(NCC1CCC(O)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-3-7-13(8-4-11)19-14(18)16-9-10-1-5-12(17)6-2-10/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,16,18)
InChIKeySEHSYXFOHFRQSR-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.98
Rot. Bonds3

About (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate

(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate (PubChem CID 141050189) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
PubChem CID141050189
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
SMILESO=C(NCC1CCC(O)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c15-11-3-7-13(8-4-11)19-14(18)16-9-10-1-5-12(17)6-2-10/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,16,18)
InChIKeySEHSYXFOHFRQSR-UHFFFAOYSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chlorophenyl N-phenethylcarbamate
CID 2802347
4-Chlorophenyl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
CID 46887780
Carbamic acid, N-cyclohexyl-, 4-chlorophenyl ester
CID 73897889
(4-Chloro-3-fluorophenyl) 3-(hydroxymethyl)piperidine-1-carboxylate
CID 89545407
(4-chlorophenyl) N-[(2S)-oxan-2-yl]carbamate
CID 135042083
p-Chlorophenyl (p-methoxyphenethyl)carbamate
CID 578390
p-Chlorophenyl (4-chlorophenethyl)carbamate
CID 580695
5-[4-Chloro-2-(hydroxymethyl)phenoxy]pentylcarbamic acid
CID 67446847
2-[4-(4-Chlorophenoxy)phenyl]ethylcarbamic acid
CID 67528990
trans-(4-Hydroxymethyl-cyclohexyl)-methyl-carbamic acid 4-chloro-phenyl ester
CID 69195168
(4-chlorophenyl) N-[4-(3-hydroxyprop-1-ynyl)cyclohexyl]-N-methylcarbamate
CID 69199285
(4-chlorophenyl) N-[[4-[[ethyl(2-hydroxyethyl)amino]methyl]cyclohexyl]methyl]-N-methylcarbamate
CID 69638204

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate (CID 141050189) is (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate is O=C(NCC1CCC(O)CC1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate?
The InChIKey is SEHSYXFOHFRQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-3-7-13(8-4-11)19-14(18)16-9-10-1-5-12(17)6-2-10/h3-4,7-8,10,12,17H,1-2,5-6,9H2,(H,16,18).
What are the key properties of (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate?
(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate has a molecular weight of 283.75 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate is sourced from PubChem (CID 141050189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).