N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride

C13H17Cl2IN2O2 — CID 119615563

IUPACN-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H16ClIN2O2.ClH/c1-19-12-5-10(15)9(14)4-8(12)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyOWMQLGLRNFMQSF-UHFFFAOYSA-N
MW431.10 g/mol
LogP2.84
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride (PubChem CID 119615563) has the molecular formula C13H17Cl2IN2O2 and a molecular weight of 431.10 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
PubChem CID119615563
Molecular FormulaC13H17Cl2IN2O2
Molecular Weight431.10 g/mol
Exact Mass429.97
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(I)c(Cl)cc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H16ClIN2O2.ClH/c1-19-12-5-10(15)9(14)4-8(12)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H
InChIKeyOWMQLGLRNFMQSF-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.10
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
CID 119614737
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119615087
(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975862
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
(2S)-4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 63715560
4-amino-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 43357181
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(2-amino-1-cyclopropylethyl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119614679
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride (CID 119615563) is N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride is COc1cc(I)c(Cl)cc1C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride?
The InChIKey is OWMQLGLRNFMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O2.ClH/c1-19-12-5-10(15)9(14)4-8(12)13(18)17-11(6-16)7-2-3-7;/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride has a molecular weight of 431.10 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119615563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).