(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate

C16H20ClNO3 — CID 8662028

IUPAC(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-14-8-6-12(7-9-14)11-21-15(19)10-18-16(20)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20)
InChIKeyWIYBUTVIOCPOCQ-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.08
Rot. Bonds5

About (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate

(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate (PubChem CID 8662028) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
PubChem CID8662028
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCCC1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-14-8-6-12(7-9-14)11-21-15(19)10-18-16(20)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20)
InChIKeyWIYBUTVIOCPOCQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
CID 27286619
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18121101
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437060
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate (CID 8662028) is (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate is O=C(CNC(=O)C1CCCCC1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is WIYBUTVIOCPOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-8-6-12(7-9-14)11-21-15(19)10-18-16(20)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20).
What are the key properties of (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate?
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 309.79 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 8662028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).