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

C13H18ClIN2O3 — CID 119768613

IUPAC1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C13H17IN2O3.ClH/c14-9-1-3-11(4-2-9)19-8-10(17)7-16-12(18)13(15)5-6-13;/h1-4,10,17H,5-8,15H2,(H,16,18);1H
InChIKeyHKQRNUBCUULJCM-UHFFFAOYSA-N
MW412.66 g/mol
LogP1.06
Rot. Bonds6

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

1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119768613) has the molecular formula C13H18ClIN2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119768613
Molecular FormulaC13H18ClIN2O3
Molecular Weight412.66 g/mol
Exact Mass412.01
IUPAC Name1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C13H17IN2O3.ClH/c14-9-1-3-11(4-2-9)19-8-10(17)7-16-12(18)13(15)5-6-13;/h1-4,10,17H,5-8,15H2,(H,16,18);1H
InChIKeyHKQRNUBCUULJCM-UHFFFAOYSA-N
XLogP1.06
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide
CID 119768618
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
CID 133469940
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide
CID 166321743

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 119768613) is 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(O)COc2ccc(I)cc2)CC1.
What is the InChIKey of 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HKQRNUBCUULJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O3.ClH/c14-9-1-3-11(4-2-9)19-8-10(17)7-16-12(18)13(15)5-6-13;/h1-4,10,17H,5-8,15H2,(H,16,18);1H.
What are the key properties of 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 412.66 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119768613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).