2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid

C15H18ClNO3 — CID 120974662

IUPAC2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-2-13(9-3-5-10(16)6-4-9)17-14(18)11-7-8-12(11)15(19)20/h3-6,11-13H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXWIRENEIAJWRR-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.02
Rot. Bonds5

About 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974662) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974662
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCC1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-2-13(9-3-5-10(16)6-4-9)17-14(18)11-7-8-12(11)15(19)20/h3-6,11-13H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXWIRENEIAJWRR-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
N-[1-(4-chlorophenyl)propyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265788
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550181
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
(E)-4-[1-(4-chlorophenyl)propylamino]-4-oxobut-2-enoic acid
CID 54867988

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974662) is 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid is CCC(NC(=O)C1CCC1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MXWIRENEIAJWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-13(9-3-5-10(16)6-4-9)17-14(18)11-7-8-12(11)15(19)20/h3-6,11-13H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).