N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide

C13H15ClFNO — CID 110790515

IUPACN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1ccc(F)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H15ClFNO/c14-11-8-9(4-5-12(11)15)6-7-16-13(17)10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17)
InChIKeyYWYMMRSMNCSJMW-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide

N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide (PubChem CID 110790515) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
PubChem CID110790515
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1ccc(F)c(Cl)c1)C1CCC1
InChIInChI=1S/C13H15ClFNO/c14-11-8-9(4-5-12(11)15)6-7-16-13(17)10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17)
InChIKeyYWYMMRSMNCSJMW-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
CID 103038591
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide (CID 110790515) is N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide is O=C(NCCc1ccc(F)c(Cl)c1)C1CCC1.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is YWYMMRSMNCSJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-8-9(4-5-12(11)15)6-7-16-13(17)10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17).
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide?
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 255.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110790515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).