N-(6-iodohexyl)naphthalene-1-carboxamide

C17H20INO — CID 107848597

IUPACN-(6-iodohexyl)naphthalene-1-carboxamide
SMILESO=C(NCCCCCCI)c1cccc2ccccc12
InChIInChI=1S/C17H20INO/c18-12-5-1-2-6-13-19-17(20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13H2,(H,19,20)
InChIKeyFTNYDAPLNFHJMS-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.57
Rot. Bonds7

About N-(6-iodohexyl)naphthalene-1-carboxamide

N-(6-iodohexyl)naphthalene-1-carboxamide (PubChem CID 107848597) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(6-iodohexyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-iodohexyl)naphthalene-1-carboxamide
PubChem CID107848597
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC NameN-(6-iodohexyl)naphthalene-1-carboxamide
SMILESO=C(NCCCCCCI)c1cccc2ccccc12
InChIInChI=1S/C17H20INO/c18-12-5-1-2-6-13-19-17(20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13H2,(H,19,20)
InChIKeyFTNYDAPLNFHJMS-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
N-dodecylnaphthalene-1-carboxamide
CID 4278758
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
CID 10502272
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)naphthalene-1-carboxamide?
The IUPAC name of N-(6-iodohexyl)naphthalene-1-carboxamide (CID 107848597) is N-(6-iodohexyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(6-iodohexyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(6-iodohexyl)naphthalene-1-carboxamide is O=C(NCCCCCCI)c1cccc2ccccc12.
What is the InChIKey of N-(6-iodohexyl)naphthalene-1-carboxamide?
The InChIKey is FTNYDAPLNFHJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c18-12-5-1-2-6-13-19-17(20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13H2,(H,19,20).
What are the key properties of N-(6-iodohexyl)naphthalene-1-carboxamide?
N-(6-iodohexyl)naphthalene-1-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)naphthalene-1-carboxamide is sourced from PubChem (CID 107848597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).