N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide

C13H16ClIN2O — CID 114030464

IUPACN-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)C(CN)C1CC1
InChIInChI=1S/C13H16ClIN2O/c1-17(12(7-16)8-2-3-8)13(18)10-6-9(14)4-5-11(10)15/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyBKMARXBQDWZOSS-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.75
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide (PubChem CID 114030464) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
PubChem CID114030464
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1I)C(CN)C1CC1
InChIInChI=1S/C13H16ClIN2O/c1-17(12(7-16)8-2-3-8)13(18)10-6-9(14)4-5-11(10)15/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyBKMARXBQDWZOSS-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
CID 116651955
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030722
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide (CID 114030464) is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1I)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide?
The InChIKey is BKMARXBQDWZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-17(12(7-16)8-2-3-8)13(18)10-6-9(14)4-5-11(10)15/h4-6,8,12H,2-3,7,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide has a molecular weight of 378.64 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide is sourced from PubChem (CID 114030464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).