(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone

C19H16ClNO4 — CID 7148505

IUPAC(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone
SMILESCOc1cc(N)c(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C19H16ClNO4/c1-23-17-9-13(14(21)10-18(17)24-2)19(22)16-8-7-15(25-16)11-3-5-12(20)6-4-11/h3-10H,21H2,1-2H3
InChIKeyVYGCEOFMKZJWQL-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.43
Rot. Bonds5

About (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone

(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone (PubChem CID 7148505) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone
PubChem CID7148505
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone
SMILESCOc1cc(N)c(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C19H16ClNO4/c1-23-17-9-13(14(21)10-18(17)24-2)19(22)16-8-7-15(25-16)11-3-5-12(20)6-4-11/h3-10H,21H2,1-2H3
InChIKeyVYGCEOFMKZJWQL-UHFFFAOYSA-N
XLogP4.43
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
naphthalen-1-yl 5-(4-chlorophenyl)furan-2-carboxylate
CID 1202966
N-(2-amino-6-chlorophenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 91689055
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
(4-bromonaphthalen-1-yl) 5-(4-chlorophenyl)furan-2-carboxylate
CID 3986596
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 9021349
N-(2-amino-4-methoxyphenyl)-5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 91687544
(E)-3-[5-(4-chlorophenyl)furan-2-yl]but-2-enoic acid
CID 82543970

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone?
The IUPAC name of (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone (CID 7148505) is (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone.
What is the SMILES notation for (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone?
The canonical SMILES for (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone is COc1cc(N)c(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone?
The InChIKey is VYGCEOFMKZJWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-23-17-9-13(14(21)10-18(17)24-2)19(22)16-8-7-15(25-16)11-3-5-12(20)6-4-11/h3-10H,21H2,1-2H3.
What are the key properties of (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone?
(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone has a molecular weight of 357.79 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone is sourced from PubChem (CID 7148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).