3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

C16H20FNO3 — CID 103550301

IUPAC3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C16H20FNO3/c1-2-18(10-11-4-3-5-14(17)8-11)15(19)12-6-7-13(9-12)16(20)21/h3-5,8,12-13H,2,6-7,9-10H2,1H3,(H,20,21)
InChIKeyTZXAXKOIJCOOJJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.68
Rot. Bonds5

About 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550301) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550301
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C16H20FNO3/c1-2-18(10-11-4-3-5-14(17)8-11)15(19)12-6-7-13(9-12)16(20)21/h3-5,8,12-13H,2,6-7,9-10H2,1H3,(H,20,21)
InChIKeyTZXAXKOIJCOOJJ-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
4-[(3-chlorophenyl)methyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672699
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
3-[ethyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120550771
N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 114428396
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 91941986
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103550301) is 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is CCN(Cc1cccc(F)c1)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is TZXAXKOIJCOOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-2-18(10-11-4-3-5-14(17)8-11)15(19)12-6-7-13(9-12)16(20)21/h3-5,8,12-13H,2,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).