N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide

C22H18ClN3O3 — CID 4051552

IUPACN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-14(25-26-22(29)17-6-12-20(27)13-7-17)15-4-10-19(11-5-15)24-21(28)16-2-8-18(23)9-3-16/h2-13,27H,1H3,(H,24,28)(H,26,29)
InChIKeyUQSGGBAZQBWACM-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.45
Rot. Bonds5

About N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide

N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide (PubChem CID 4051552) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
PubChem CID4051552
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-14(25-26-22(29)17-6-12-20(27)13-7-17)15-4-10-19(11-5-15)24-21(28)16-2-8-18(23)9-3-16/h2-13,27H,1H3,(H,24,28)(H,26,29)
InChIKeyUQSGGBAZQBWACM-UHFFFAOYSA-N
XLogP4.45
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6027501
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide (CID 4051552) is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide is CC(=NNC(=O)c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide?
The InChIKey is UQSGGBAZQBWACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-14(25-26-22(29)17-6-12-20(27)13-7-17)15-4-10-19(11-5-15)24-21(28)16-2-8-18(23)9-3-16/h2-13,27H,1H3,(H,24,28)(H,26,29).
What are the key properties of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide?
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide has a molecular weight of 407.86 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 4051552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).