3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

C24H22ClN3O3 — CID 11102152

IUPAC3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C24H22ClN3O3/c25-20-13-16(10-12-22(20)29)24(31)28-26-14-17-9-11-21(19-8-4-3-7-18(17)19)27-23(30)15-5-1-2-6-15/h3-4,7-15,29H,1-2,5-6H2,(H,27,30)(H,28,31)/b26-14+
InChIKeyZXZKLMNZJAUNLG-VULFUBBASA-N
MW435.91 g/mol
LogP5.09
Rot. Bonds5

About 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 11102152) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID11102152
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C24H22ClN3O3/c25-20-13-16(10-12-22(20)29)24(31)28-26-14-17-9-11-21(19-8-4-3-7-18(17)19)27-23(30)15-5-1-2-6-15/h3-4,7-15,29H,1-2,5-6H2,(H,27,30)(H,28,31)/b26-14+
InChIKeyZXZKLMNZJAUNLG-VULFUBBASA-N
XLogP5.09
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.09
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (CID 11102152) is 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is ZXZKLMNZJAUNLG-VULFUBBASA-N. The full InChI is InChI=1S/C24H22ClN3O3/c25-20-13-16(10-12-22(20)29)24(31)28-26-14-17-9-11-21(19-8-4-3-7-18(17)19)27-23(30)15-5-1-2-6-15/h3-4,7-15,29H,1-2,5-6H2,(H,27,30)(H,28,31)/b26-14+.
What are the key properties of 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 435.91 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[4-(cyclopentanecarbonylamino)naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 11102152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).