N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide

C13H18ClIN2O — CID 119586604

IUPACN-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C13H18ClIN2O/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(15)6-12(11)14/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyMYHDFKJKPSSUAA-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.05
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide

N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide (PubChem CID 119586604) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
PubChem CID119586604
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C13H18ClIN2O/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(15)6-12(11)14/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyMYHDFKJKPSSUAA-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.05
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

N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
(2S)-2-[(2-chloro-4-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119361057
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-(3-aminobutyl)-2-chloro-4-iodobenzamide
CID 119496465
(2R)-2-[(2-chloro-4-iodobenzoyl)amino]-3-methylbutanoic acid
CID 119368409
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide
CID 81461199
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
N-(1-amino-4-methylpentan-2-yl)-2-chloro-3-fluorobenzamide;hydrochloride
CID 119587216

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide (CID 119586604) is N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide is CC(C)CC(CN)NC(=O)c1ccc(I)cc1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide?
The InChIKey is MYHDFKJKPSSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(15)6-12(11)14/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide?
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide has a molecular weight of 380.66 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide is sourced from PubChem (CID 119586604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).