2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

C14H16ClNO3 — CID 120974491

IUPAC2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-10-3-1-2-9(8-10)6-7-16-13(17)11-4-5-12(11)14(18)19/h1-3,8,11-12H,4-7H2,(H,16,17)(H,18,19)
InChIKeyHPCHKIYHGPEZMS-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.11
Rot. Bonds5

About 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974491) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974491
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c15-10-3-1-2-9(8-10)6-7-16-13(17)11-4-5-12(11)14(18)19/h1-3,8,11-12H,4-7H2,(H,16,17)(H,18,19)
InChIKeyHPCHKIYHGPEZMS-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974491) is 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is HPCHKIYHGPEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-10-3-1-2-9(8-10)6-7-16-13(17)11-4-5-12(11)14(18)19/h1-3,8,11-12H,4-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).