cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate

C15H18Cl2N2O3 — CID 69349520

IUPACcyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
SMILESNc1cc(Cl)c(Cl)cc1C(=O)NCC(=O)OC1CCCCC1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-6-10(13(18)7-12(11)17)15(21)19-8-14(20)22-9-4-2-1-3-5-9/h6-7,9H,1-5,8,18H2,(H,19,21)
InChIKeyBOZFFTPPRVWENI-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.18
Rot. Bonds4

About cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate

cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate (PubChem CID 69349520) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
PubChem CID69349520
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Namecyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
SMILESNc1cc(Cl)c(Cl)cc1C(=O)NCC(=O)OC1CCCCC1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-6-10(13(18)7-12(11)17)15(21)19-8-14(20)22-9-4-2-1-3-5-9/h6-7,9H,1-5,8,18H2,(H,19,21)
InChIKeyBOZFFTPPRVWENI-UHFFFAOYSA-N
XLogP3.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
CID 69349060
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
cyclohexyl 2-[(4-chloro-2-nitrobenzoyl)amino]acetate
CID 69349258
cyclohexyl 2-[[2-[(2,6-dichlorophenyl)carbamoylamino]-5-phenylthiophene-3-carbonyl]amino]acetate
CID 69452843
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
methyl 2-[1-[(2-amino-4,5-dichlorobenzoyl)amino]cyclohexyl]acetate
CID 174531828
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
cyclohexyl 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 91141656
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The IUPAC name of cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate (CID 69349520) is cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The canonical SMILES for cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate is Nc1cc(Cl)c(Cl)cc1C(=O)NCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
The InChIKey is BOZFFTPPRVWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-11-6-10(13(18)7-12(11)17)15(21)19-8-14(20)22-9-4-2-1-3-5-9/h6-7,9H,1-5,8,18H2,(H,19,21).
What are the key properties of cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate?
cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate has a molecular weight of 345.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 69349520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).