N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

C20H15BrCl2N2O2 — CID 162661131

IUPACN-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc(Br)cc2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C20H15BrCl2N2O2/c21-13-3-1-12(2-4-13)11-24-15-6-7-18(17(23)10-15)25-20(27)16-9-14(22)5-8-19(16)26/h1-10,24,26H,11H2,(H,25,27)
InChIKeyFJFQDIKADDYFDV-UHFFFAOYSA-N
MW466.16 g/mol
LogP6.33
Rot. Bonds5

About N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide

N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 162661131) has the molecular formula C20H15BrCl2N2O2 and a molecular weight of 466.16 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
PubChem CID162661131
Molecular FormulaC20H15BrCl2N2O2
Molecular Weight466.16 g/mol
Exact Mass463.97
IUPAC NameN-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1ccc(NCc2ccc(Br)cc2)cc1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C20H15BrCl2N2O2/c21-13-3-1-12(2-4-13)11-24-15-6-7-18(17(23)10-15)25-20(27)16-9-14(22)5-8-19(16)26/h1-10,24,26H,11H2,(H,25,27)
InChIKeyFJFQDIKADDYFDV-UHFFFAOYSA-N
XLogP6.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.16
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide (CID 162661131) is N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1ccc(NCc2ccc(Br)cc2)cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is FJFQDIKADDYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrCl2N2O2/c21-13-3-1-12(2-4-13)11-24-15-6-7-18(17(23)10-15)25-20(27)16-9-14(22)5-8-19(16)26/h1-10,24,26H,11H2,(H,25,27).
What are the key properties of N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide?
N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 466.16 g/mol, XLogP of 6.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)methylamino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 162661131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).