N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide

C20H17ClN2O3 — CID 3692775

IUPACN-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NN=Cc1cc(Cc2ccccc2Cl)ccc1O
InChIInChI=1S/C20H17ClN2O3/c1-13-17(8-9-26-13)20(25)23-22-12-16-11-14(6-7-19(16)24)10-15-4-2-3-5-18(15)21/h2-9,11-12,24H,10H2,1H3,(H,23,25)
InChIKeyAVAKVUSYRCXIQK-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.30
Rot. Bonds5

About N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide

N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 3692775) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID3692775
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NN=Cc1cc(Cc2ccccc2Cl)ccc1O
InChIInChI=1S/C20H17ClN2O3/c1-13-17(8-9-26-13)20(25)23-22-12-16-11-14(6-7-19(16)24)10-15-4-2-3-5-18(15)21/h2-9,11-12,24H,10H2,1H3,(H,23,25)
InChIKeyAVAKVUSYRCXIQK-UHFFFAOYSA-N
XLogP4.30
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.30
H-Bond Donors ≤ 52
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

N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 136911367
2-bromo-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135926012
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 136783676
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
CID 136690362
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1351876
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 135578751
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 136715577
5-tert-butyl-N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135578679
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
(3S)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792682
(3R)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792681
N-[(Z)-(2,4-dichloro-6-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136934865

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 3692775) is N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NN=Cc1cc(Cc2ccccc2Cl)ccc1O.
What is the InChIKey of N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is AVAKVUSYRCXIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-17(8-9-26-13)20(25)23-22-12-16-11-14(6-7-19(16)24)10-15-4-2-3-5-18(15)21/h2-9,11-12,24H,10H2,1H3,(H,23,25).
What are the key properties of N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3692775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).