N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide

C14H18ClFN2O2 — CID 154693316

IUPACN-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC1CCC(CNC(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H18ClFN2O2/c15-12-4-3-11(6-13(12)16)20-8-14(19)18-7-9-1-2-10(17)5-9/h3-4,6,9-10H,1-2,5,7-8,17H2,(H,18,19)
InChIKeyQHENYEOJCPPLAY-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide

N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide (PubChem CID 154693316) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
PubChem CID154693316
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNC1CCC(CNC(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H18ClFN2O2/c15-12-4-3-11(6-13(12)16)20-8-14(19)18-7-9-1-2-10(17)5-9/h3-4,6,9-10H,1-2,5,7-8,17H2,(H,18,19)
InChIKeyQHENYEOJCPPLAY-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
CID 155069111
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
tert-butyl 3-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]pyrrolidine-1-carboxylate
CID 155069109
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 82717766
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
CID 138632283
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502
2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide (CID 154693316) is N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide is NC1CCC(CNC(=O)COc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide?
The InChIKey is QHENYEOJCPPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-12-4-3-11(6-13(12)16)20-8-14(19)18-7-9-1-2-10(17)5-9/h3-4,6,9-10H,1-2,5,7-8,17H2,(H,18,19).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide?
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide has a molecular weight of 300.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide is sourced from PubChem (CID 154693316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).