N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide

C18H13BrClN3O2 — CID 16718538

IUPACN'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide
SMILESO=C(/C(=N/c1ccc(Br)cc1)NNc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C18H13BrClN3O2/c19-12-3-7-14(8-4-12)21-18(17(24)16-2-1-11-25-16)23-22-15-9-5-13(20)6-10-15/h1-11,22H,(H,21,23)
InChIKeyXBFXZVOLJHLSKB-UHFFFAOYSA-N
MW418.68 g/mol
LogP5.23
Rot. Bonds5

About N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide

N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide (PubChem CID 16718538) has the molecular formula C18H13BrClN3O2 and a molecular weight of 418.68 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide
PubChem CID16718538
Molecular FormulaC18H13BrClN3O2
Molecular Weight418.68 g/mol
Exact Mass416.99
IUPAC NameN'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide
SMILESO=C(/C(=N/c1ccc(Br)cc1)NNc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C18H13BrClN3O2/c19-12-3-7-14(8-4-12)21-18(17(24)16-2-1-11-25-16)23-22-15-9-5-13(20)6-10-15/h1-11,22H,(H,21,23)
InChIKeyXBFXZVOLJHLSKB-UHFFFAOYSA-N
XLogP5.23
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.68
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',5-N'-bis(4-bromophenyl)-1-N,5-N-bis(4-chloroanilino)-2,4-bis(furan-2-yl)-3-oxopentanediimidamide
CID 174548024
N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
CID 135481966
N'-(4-chlorophenyl)-N-(4-fluoroanilino)-3,3-dimethyl-2-oxobutanimidamide
CID 57455416
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide?
The IUPAC name of N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide (CID 16718538) is N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide is O=C(/C(=N/c1ccc(Br)cc1)NNc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide?
The InChIKey is XBFXZVOLJHLSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O2/c19-12-3-7-14(8-4-12)21-18(17(24)16-2-1-11-25-16)23-22-15-9-5-13(20)6-10-15/h1-11,22H,(H,21,23).
What are the key properties of N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide?
N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide has a molecular weight of 418.68 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide is sourced from PubChem (CID 16718538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).