N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide

C15H20Cl2N2O2 — CID 119604613

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1CN
InChIInChI=1S/C15H20Cl2N2O2/c1-9(21-13-6-11(16)5-12(17)7-13)15(20)19-14-4-2-3-10(14)8-18/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20)
InChIKeyQTCKCBCCXVVJQD-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide

N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide (PubChem CID 119604613) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
PubChem CID119604613
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1CN
InChIInChI=1S/C15H20Cl2N2O2/c1-9(21-13-6-11(16)5-12(17)7-13)15(20)19-14-4-2-3-10(14)8-18/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20)
InChIKeyQTCKCBCCXVVJQD-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenoxy)propanamide
CID 119611877
N-[2-(aminomethyl)cyclohexyl]-2-(4-bromophenoxy)propanamide;hydrochloride
CID 119612248
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide (CID 119604613) is N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide?
The InChIKey is QTCKCBCCXVVJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-9(21-13-6-11(16)5-12(17)7-13)15(20)19-14-4-2-3-10(14)8-18/h5-7,9-10,14H,2-4,8,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide?
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide has a molecular weight of 331.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 119604613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).