N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide

C24H18INO2 — CID 19166399

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C24H18INO2/c25-19-13-10-18(11-14-19)24(28)26-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28)
InChIKeyBZVRITISBYOYDS-UHFFFAOYSA-N
MW479.32 g/mol
LogP5.67
Rot. Bonds4

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide (PubChem CID 19166399) has the molecular formula C24H18INO2 and a molecular weight of 479.32 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
PubChem CID19166399
Molecular FormulaC24H18INO2
Molecular Weight479.32 g/mol
Exact Mass479.04
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C24H18INO2/c25-19-13-10-18(11-14-19)24(28)26-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28)
InChIKeyBZVRITISBYOYDS-UHFFFAOYSA-N
XLogP5.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide (CID 19166399) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide is O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(I)cc1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide?
The InChIKey is BZVRITISBYOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18INO2/c25-19-13-10-18(11-14-19)24(28)26-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)27/h1-15,23,27H,(H,26,28).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide has a molecular weight of 479.32 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide is sourced from PubChem (CID 19166399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).