N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C22H21ClN2O3 — CID 4675268

IUPACN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C22H21ClN2O3/c1-14(2)28-20-9-8-15(10-19(20)23)13-24-25-22(26)18-11-16-6-4-5-7-17(16)12-21(18)27-3/h4-14H,1-3H3,(H,25,26)
InChIKeyZWUGGNJOFRBSMU-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.05
Rot. Bonds6

About N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 4675268) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID4675268
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C22H21ClN2O3/c1-14(2)28-20-9-8-15(10-19(20)23)13-24-25-22(26)18-11-16-6-4-5-7-17(16)12-21(18)27-3/h4-14H,1-3H3,(H,25,26)
InChIKeyZWUGGNJOFRBSMU-UHFFFAOYSA-N
XLogP5.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
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

2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515446
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509270
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3092708
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135613420
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6280674
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
3-amino-N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110512249
(2S)-2-[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126015901
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 4675268) is N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is ZWUGGNJOFRBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14(2)28-20-9-8-15(10-19(20)23)13-24-25-22(26)18-11-16-6-4-5-7-17(16)12-21(18)27-3/h4-14H,1-3H3,(H,25,26).
What are the key properties of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 4675268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).