(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone

C11H7Cl2NO2 — CID 116609945

IUPAC(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
SMILESNc1c(Cl)cc(C(=O)c2ccco2)cc1Cl
InChIInChI=1S/C11H7Cl2NO2/c12-7-4-6(5-8(13)10(7)14)11(15)9-2-1-3-16-9/h1-5H,14H2
InChIKeyIHUAWKCQKANVQX-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.40
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone

(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone (PubChem CID 116609945) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
PubChem CID116609945
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
SMILESNc1c(Cl)cc(C(=O)c2ccco2)cc1Cl
InChIInChI=1S/C11H7Cl2NO2/c12-7-4-6(5-8(13)10(7)14)11(15)9-2-1-3-16-9/h1-5H,14H2
InChIKeyIHUAWKCQKANVQX-UHFFFAOYSA-N
XLogP3.40
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
(5-chloro-2-methylphenyl)-(furan-2-yl)methanone
CID 82883432
(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
CID 18967626
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone (CID 116609945) is (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone is Nc1c(Cl)cc(C(=O)c2ccco2)cc1Cl.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone?
The InChIKey is IHUAWKCQKANVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-4-6(5-8(13)10(7)14)11(15)9-2-1-3-16-9/h1-5H,14H2.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone has a molecular weight of 256.09 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 116609945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).