formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate

C11H10ClNO3 — CID 175169630

IUPACformamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=CNOC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)11(5-6-11)10(15)16-13-7-14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyIZHBHHMFHFJYBU-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.58
Rot. Bonds4

About formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate

formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 175169630) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameformamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID175169630
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Nameformamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=CNOC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)11(5-6-11)10(15)16-13-7-14/h1-4,7H,5-6H2,(H,13,14)
InChIKeyIZHBHHMFHFJYBU-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
1,3-benzodioxol-5-yl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 4827352
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
[2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642302
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454500
methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589539
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939

Frequently Asked Questions

What is the IUPAC name of formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 175169630) is formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate is O=CNOC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is IZHBHHMFHFJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-9-3-1-8(2-4-9)11(5-6-11)10(15)16-13-7-14/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate?
formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 175169630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).