2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

C14H13ClN2O2 — CID 5413519

IUPAC2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O2/c1-10-2-7-13(19-10)9-16-17-14(18)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9-
InChIKeySBRNAXJZJLMJCC-SXGWCWSVSA-N
MW276.72 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5413519) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5413519
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O2/c1-10-2-7-13(19-10)9-16-17-14(18)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9-
InChIKeySBRNAXJZJLMJCC-SXGWCWSVSA-N
XLogP2.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5333773
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(2,4-dimethylphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 92657653
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 6188173
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5413519) is 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is SBRNAXJZJLMJCC-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10-2-7-13(19-10)9-16-17-14(18)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 276.72 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5413519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).