7-amino-N-(3-iodo-2-methylphenyl)heptanamide

C14H21IN2O — CID 114257248

IUPAC7-amino-N-(3-iodo-2-methylphenyl)heptanamide
SMILESCc1c(I)cccc1NC(=O)CCCCCCN
InChIInChI=1S/C14H21IN2O/c1-11-12(15)7-6-8-13(11)17-14(18)9-4-2-3-5-10-16/h6-8H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyWDKUFUPQIDUHJZ-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.45
Rot. Bonds7

About 7-amino-N-(3-iodo-2-methylphenyl)heptanamide

7-amino-N-(3-iodo-2-methylphenyl)heptanamide (PubChem CID 114257248) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 7-amino-N-(3-iodo-2-methylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-iodo-2-methylphenyl)heptanamide
PubChem CID114257248
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name7-amino-N-(3-iodo-2-methylphenyl)heptanamide
SMILESCc1c(I)cccc1NC(=O)CCCCCCN
InChIInChI=1S/C14H21IN2O/c1-11-12(15)7-6-8-13(11)17-14(18)9-4-2-3-5-10-16/h6-8H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyWDKUFUPQIDUHJZ-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
CID 130166556
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-iodo-2-methylphenyl)heptanamide?
The IUPAC name of 7-amino-N-(3-iodo-2-methylphenyl)heptanamide (CID 114257248) is 7-amino-N-(3-iodo-2-methylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-iodo-2-methylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-iodo-2-methylphenyl)heptanamide is Cc1c(I)cccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(3-iodo-2-methylphenyl)heptanamide?
The InChIKey is WDKUFUPQIDUHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-11-12(15)7-6-8-13(11)17-14(18)9-4-2-3-5-10-16/h6-8H,2-5,9-10,16H2,1H3,(H,17,18).
What are the key properties of 7-amino-N-(3-iodo-2-methylphenyl)heptanamide?
7-amino-N-(3-iodo-2-methylphenyl)heptanamide has a molecular weight of 360.24 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-iodo-2-methylphenyl)heptanamide is sourced from PubChem (CID 114257248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).