N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide

C23H15BrClNO3 — CID 162650394

IUPACN-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C23H15BrClNO3/c24-22-18-4-2-1-3-14(18)7-11-21(22)29-20-12-8-16(13-19(20)25)26-23(28)15-5-9-17(27)10-6-15/h1-13,27H,(H,26,28)
InChIKeySPWSMDSNTADDDR-UHFFFAOYSA-N
MW468.73 g/mol
LogP7.01
Rot. Bonds4

About N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide

N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide (PubChem CID 162650394) has the molecular formula C23H15BrClNO3 and a molecular weight of 468.73 g/mol. Its IUPAC name is N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
PubChem CID162650394
Molecular FormulaC23H15BrClNO3
Molecular Weight468.73 g/mol
Exact Mass466.99
IUPAC NameN-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C23H15BrClNO3/c24-22-18-4-2-1-3-14(18)7-11-21(22)29-20-12-8-16(13-19(20)25)26-23(28)15-5-9-17(27)10-6-15/h1-13,27H,(H,26,28)
InChIKeySPWSMDSNTADDDR-UHFFFAOYSA-N
XLogP7.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
CID 539400
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide
CID 4167424
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 52940521
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508209
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide (CID 162650394) is N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide is O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide?
The InChIKey is SPWSMDSNTADDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClNO3/c24-22-18-4-2-1-3-14(18)7-11-21(22)29-20-12-8-16(13-19(20)25)26-23(28)15-5-9-17(27)10-6-15/h1-13,27H,(H,26,28).
What are the key properties of N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide?
N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide has a molecular weight of 468.73 g/mol, XLogP of 7.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide is sourced from PubChem (CID 162650394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).