1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide

C20H12BrClN2O3 — CID 100817444

IUPAC1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12
InChIInChI=1S/C20H12BrClN2O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(27-17)20(26)24-10-14(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25)
InChIKeyYISGXSCFNGDLJP-UHFFFAOYSA-N
MW443.68 g/mol
LogP5.10
Rot. Bonds3

About 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide

1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide (PubChem CID 100817444) has the molecular formula C20H12BrClN2O3 and a molecular weight of 443.68 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
PubChem CID100817444
Molecular FormulaC20H12BrClN2O3
Molecular Weight443.68 g/mol
Exact Mass441.97
IUPAC Name1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12
InChIInChI=1S/C20H12BrClN2O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(27-17)20(26)24-10-14(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25)
InChIKeyYISGXSCFNGDLJP-UHFFFAOYSA-N
XLogP5.10
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817382
1-[5-(2-bromo-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817609
1-[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]indole-3-carbaldehyde
CID 100817588
5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
CID 7394546
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
[5-(4-bromo-2-chlorophenyl)furan-2-yl]-(2-chlorophenothiazin-10-yl)methanone
CID 91689681
1-(4-chlorobenzoyl)indole-3-carboxamide
CID 91690434
1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817550
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104
1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide
CID 91690268
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
CID 100817570

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide (CID 100817444) is 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide.
What is the SMILES notation for 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The canonical SMILES for 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide is NC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12.
What is the InChIKey of 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide?
The InChIKey is YISGXSCFNGDLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(27-17)20(26)24-10-14(19(23)25)12-3-1-2-4-16(12)24/h1-10H,(H2,23,25).
What are the key properties of 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide?
1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide has a molecular weight of 443.68 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide is sourced from PubChem (CID 100817444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).