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

C13H17ClINO — CID 114300843

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
SMILESCC(C)CC(CCl)NC(=O)c1ccccc1I
InChIInChI=1S/C13H17ClINO/c1-9(2)7-10(8-14)16-13(17)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyKNZXRQHHVKSMIU-UHFFFAOYSA-N
MW365.64 g/mol
LogP3.67
Rot. Bonds5

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

N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide (PubChem CID 114300843) has the molecular formula C13H17ClINO and a molecular weight of 365.64 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
PubChem CID114300843
Molecular FormulaC13H17ClINO
Molecular Weight365.64 g/mol
Exact Mass365.00
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
SMILESCC(C)CC(CCl)NC(=O)c1ccccc1I
InChIInChI=1S/C13H17ClINO/c1-9(2)7-10(8-14)16-13(17)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyKNZXRQHHVKSMIU-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
N-(1,3-dihydroxypropan-2-yl)-2-iodobenzamide
CID 65312404
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxy-4-iodobenzamide
CID 114103948
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
CID 107941159
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
N-(1-chloro-4-methylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122593
2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide (CID 114300843) is N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide is CC(C)CC(CCl)NC(=O)c1ccccc1I.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide?
The InChIKey is KNZXRQHHVKSMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO/c1-9(2)7-10(8-14)16-13(17)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide?
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide has a molecular weight of 365.64 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide is sourced from PubChem (CID 114300843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).