2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide

C24H17BrFNO2 — CID 55451553

IUPAC2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1cc(F)ccc1Br
InChIInChI=1S/C24H17BrFNO2/c25-20-12-11-17(26)14-19(20)24(29)27-23(16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-13-21(22)28/h1-14,23,28H,(H,27,29)
InChIKeyNPFSHSOLSASYHO-UHFFFAOYSA-N
MW450.31 g/mol
LogP5.97
Rot. Bonds4

About 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide

2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide (PubChem CID 55451553) has the molecular formula C24H17BrFNO2 and a molecular weight of 450.31 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
PubChem CID55451553
Molecular FormulaC24H17BrFNO2
Molecular Weight450.31 g/mol
Exact Mass449.04
IUPAC Name2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1cc(F)ccc1Br
InChIInChI=1S/C24H17BrFNO2/c25-20-12-11-17(26)14-19(20)24(29)27-23(16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-13-21(22)28/h1-14,23,28H,(H,27,29)
InChIKeyNPFSHSOLSASYHO-UHFFFAOYSA-N
XLogP5.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
methyl N-[(3-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102512897
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide (CID 55451553) is 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide?
The InChIKey is NPFSHSOLSASYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFNO2/c25-20-12-11-17(26)14-19(20)24(29)27-23(16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-13-21(22)28/h1-14,23,28H,(H,27,29).
What are the key properties of 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide?
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide has a molecular weight of 450.31 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 55451553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).