3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride

C14H18Cl3N3O2 — CID 119683795

IUPAC3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H17Cl2N3O2.ClH/c15-9-2-4-11(16)12(6-9)19-13(20)7-18-14(21)8-1-3-10(17)5-8;/h2,4,6,8,10H,1,3,5,7,17H2,(H,18,21)(H,19,20);1H
InChIKeyLJFBSAUHOTUYLT-UHFFFAOYSA-N
MW366.68 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119683795) has the molecular formula C14H18Cl3N3O2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119683795
Molecular FormulaC14H18Cl3N3O2
Molecular Weight366.68 g/mol
Exact Mass365.05
IUPAC Name3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H17Cl2N3O2.ClH/c15-9-2-4-11(16)12(6-9)19-13(20)7-18-14(21)8-1-3-10(17)5-8;/h2,4,6,8,10H,1,3,5,7,17H2,(H,18,21)(H,19,20);1H
InChIKeyLJFBSAUHOTUYLT-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.68
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455
(3S)-6-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9090624
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268210
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119683795) is 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is LJFBSAUHOTUYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2.ClH/c15-9-2-4-11(16)12(6-9)19-13(20)7-18-14(21)8-1-3-10(17)5-8;/h2,4,6,8,10H,1,3,5,7,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 366.68 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119683795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).