1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide

C12H14ClIN2O — CID 113311601

IUPAC1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(I)cc2Cl)CCC1
InChIInChI=1S/C12H14ClIN2O/c13-9-6-8(14)2-3-10(9)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17)
InChIKeyYJOGWGXDBPZSDP-UHFFFAOYSA-N
MW364.61 g/mol
LogP3.01
Rot. Bonds3

About 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide (PubChem CID 113311601) has the molecular formula C12H14ClIN2O and a molecular weight of 364.61 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
PubChem CID113311601
Molecular FormulaC12H14ClIN2O
Molecular Weight364.61 g/mol
Exact Mass363.98
IUPAC Name1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(I)cc2Cl)CCC1
InChIInChI=1S/C12H14ClIN2O/c13-9-6-8(14)2-3-10(9)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17)
InChIKeyYJOGWGXDBPZSDP-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(2-bromo-4-iodophenyl)cyclobutane-1-carboxamide
CID 114259927
1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
CID 107808093
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
CID 107605680
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82830276
1-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441616

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide (CID 113311601) is 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc(I)cc2Cl)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide?
The InChIKey is YJOGWGXDBPZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O/c13-9-6-8(14)2-3-10(9)16-11(17)12(7-15)4-1-5-12/h2-3,6H,1,4-5,7,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide has a molecular weight of 364.61 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 113311601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).