2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C25H18ClN3O3 — CID 136897219

IUPAC2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O3/c26-18-12-9-17(10-13-18)24(31)28-22-8-4-3-7-20(22)25(32)29-27-15-21-19-6-2-1-5-16(19)11-14-23(21)30/h1-15,30H,(H,28,31)(H,29,32)/b27-15-
InChIKeyGUQWKKAYCQTWKE-DICXZTSXSA-N
MW443.89 g/mol
LogP5.22
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 136897219) has the molecular formula C25H18ClN3O3 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID136897219
Molecular FormulaC25H18ClN3O3
Molecular Weight443.89 g/mol
Exact Mass443.10
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O3/c26-18-12-9-17(10-13-18)24(31)28-22-8-4-3-7-20(22)25(32)29-27-15-21-19-6-2-1-5-16(19)11-14-23(21)30/h1-15,30H,(H,28,31)(H,29,32)/b27-15-
InChIKeyGUQWKKAYCQTWKE-DICXZTSXSA-N
XLogP5.22
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135683070
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136678597
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
CID 94831822
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137105843
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 136897219) is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is GUQWKKAYCQTWKE-DICXZTSXSA-N. The full InChI is InChI=1S/C25H18ClN3O3/c26-18-12-9-17(10-13-18)24(31)28-22-8-4-3-7-20(22)25(32)29-27-15-21-19-6-2-1-5-16(19)11-14-23(21)30/h1-15,30H,(H,28,31)(H,29,32)/b27-15-.
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 443.89 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 136897219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).