N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide

C16H13BrClNO — CID 103479830

IUPACN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H13BrClNO/c17-15-13(18)5-2-6-14(15)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,19,20)
InChIKeyCHMMTQABJJFZQG-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.84
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 103479830) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID103479830
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC NameN-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H13BrClNO/c17-15-13(18)5-2-6-14(15)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,19,20)
InChIKeyCHMMTQABJJFZQG-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 103479830) is N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CHMMTQABJJFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-15-13(18)5-2-6-14(15)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,19,20).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 350.64 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 103479830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).