N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide

C15H20Cl2N2O2 — CID 119565396

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(21-13-5-4-11(16)8-12(13)17)14(20)19-15(9-18)6-2-3-7-15/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20)
InChIKeyQELAIDSSIDYWIM-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide

N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 119565396) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID119565396
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC1(CN)CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(21-13-5-4-11(16)8-12(13)17)14(20)19-15(9-18)6-2-3-7-15/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20)
InChIKeyQELAIDSSIDYWIM-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
methyl (2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanoate
CID 7324378
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide (CID 119565396) is N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is QELAIDSSIDYWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(21-13-5-4-11(16)8-12(13)17)14(20)19-15(9-18)6-2-3-7-15/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 331.24 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 119565396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).