2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide

C20H13Br2ClN2O3 — CID 143730123

IUPAC2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccc(O)cc1Cl
InChIInChI=1S/C20H13Br2ClN2O3/c21-12-6-11(19(27)17(22)7-12)10-24-13-2-1-3-14(8-13)25-20(28)16-5-4-15(26)9-18(16)23/h1-10,26-27H,(H,25,28)/b24-10+
InChIKeyIOCSWMLZIOHYFW-YSURURNPSA-N
MW524.60 g/mol
LogP6.28
Rot. Bonds4

About 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide

2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide (PubChem CID 143730123) has the molecular formula C20H13Br2ClN2O3 and a molecular weight of 524.60 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
PubChem CID143730123
Molecular FormulaC20H13Br2ClN2O3
Molecular Weight524.60 g/mol
Exact Mass521.90
IUPAC Name2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
SMILESO=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccc(O)cc1Cl
InChIInChI=1S/C20H13Br2ClN2O3/c21-12-6-11(19(27)17(22)7-12)10-24-13-2-1-3-14(8-13)25-20(28)16-5-4-15(26)9-18(16)23/h1-10,26-27H,(H,25,28)/b24-10+
InChIKeyIOCSWMLZIOHYFW-YSURURNPSA-N
XLogP6.28
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]-2,4-dichlorobenzamide
CID 135901021
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dichloro-N-[4-[[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173692
N-[3-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]furan-2-carboxamide
CID 5130558
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
CID 162660236
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
3-bromo-N-[3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-4-methylbenzamide
CID 3098933
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
CID 4027526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide?
The IUPAC name of 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide (CID 143730123) is 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide is O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccc(O)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide?
The InChIKey is IOCSWMLZIOHYFW-YSURURNPSA-N. The full InChI is InChI=1S/C20H13Br2ClN2O3/c21-12-6-11(19(27)17(22)7-12)10-24-13-2-1-3-14(8-13)25-20(28)16-5-4-15(26)9-18(16)23/h1-10,26-27H,(H,25,28)/b24-10+.
What are the key properties of 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide?
2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide has a molecular weight of 524.60 g/mol, XLogP of 6.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 143730123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).