1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride

C13H17Cl3N2O — CID 119813570

IUPAC1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-10-4-3-9(11(15)8-10)2-1-7-17-12(18)13(16)5-6-13;/h3-4,8H,1-2,5-7,16H2,(H,17,18);1H
InChIKeySDDHRJQSFVJRPV-UHFFFAOYSA-N
MW323.65 g/mol
LogP2.96
Rot. Bonds5

About 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119813570) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119813570
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC Name1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O.ClH/c14-10-4-3-9(11(15)8-10)2-1-7-17-12(18)13(16)5-6-13;/h3-4,8H,1-2,5-7,16H2,(H,17,18);1H
InChIKeySDDHRJQSFVJRPV-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
tert-butyl N-[3-(2,4-dichlorophenyl)propyl]carbamate
CID 91048195
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111566614
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 119813570) is 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is SDDHRJQSFVJRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c14-10-4-3-9(11(15)8-10)2-1-7-17-12(18)13(16)5-6-13;/h3-4,8H,1-2,5-7,16H2,(H,17,18);1H.
What are the key properties of 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119813570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).