N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

C27H21N3O3 — CID 4914109

IUPACN-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1cccc2ccccc12)C(=Cc1ccccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C27H21N3O3/c31-25-16-7-5-12-21(25)17-24(29-26(32)20-10-2-1-3-11-20)27(33)30-28-18-22-14-8-13-19-9-4-6-15-23(19)22/h1-18,31H,(H,29,32)(H,30,33)
InChIKeyDWFBNVKMSCQHJE-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.47
Rot. Bonds6

About N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 4914109) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID4914109
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC NameN-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1cccc2ccccc12)C(=Cc1ccccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C27H21N3O3/c31-25-16-7-5-12-21(25)17-24(29-26(32)20-10-2-1-3-11-20)27(33)30-28-18-22-14-8-13-19-9-4-6-15-23(19)22/h1-18,31H,(H,29,32)(H,30,33)
InChIKeyDWFBNVKMSCQHJE-UHFFFAOYSA-N
XLogP4.47
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-[1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135684223
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 92910310
N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2836680
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3096619
N-[(Z)-3-[(2Z)-2-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1-(2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 135915933
N-[(Z)-3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 135479837
N-[(E)-3-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137195479
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 20834582
N-[(Z)-1-(2-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6516961

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide (CID 4914109) is N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is O=C(NN=Cc1cccc2ccccc12)C(=Cc1ccccc1O)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is DWFBNVKMSCQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c31-25-16-7-5-12-21(25)17-24(29-26(32)20-10-2-1-3-11-20)27(33)30-28-18-22-14-8-13-19-9-4-6-15-23(19)22/h1-18,31H,(H,29,32)(H,30,33).
What are the key properties of N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 435.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 4914109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).