1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide

C16H15BrN2O — CID 61006539

IUPAC1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCc2ccccc21
InChIInChI=1S/C16H15BrN2O/c17-12-5-3-6-13(10-12)19-16(15(18)20)9-8-11-4-1-2-7-14(11)16/h1-7,10,19H,8-9H2,(H2,18,20)
InChIKeyDQHSOOWYTNJXKH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.19
Rot. Bonds3

About 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide

1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide (PubChem CID 61006539) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
PubChem CID61006539
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(Nc2cccc(Br)c2)CCc2ccccc21
InChIInChI=1S/C16H15BrN2O/c17-12-5-3-6-13(10-12)19-16(15(18)20)9-8-11-4-1-2-7-14(11)16/h1-7,10,19H,8-9H2,(H2,18,20)
InChIKeyDQHSOOWYTNJXKH-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
1-(3-bromoanilino)-2,3-dihydroindene-1-carbonitrile
CID 54887114
4-(3-bromoanilino)-2,3-dihydrothiochromene-4-carboxylic acid
CID 60994832
1-(4-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065985
5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
CID 116531217
1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 54893156
1-(cyclopropylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 60996783
3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
methyl 2-(3-bromoanilino)-1,3-dihydroindene-2-carboxylate
CID 60993146
1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065984
[4-(3-bromoanilino)-1,3-dihydroisochromen-4-yl]methanol
CID 107150118

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide (CID 61006539) is 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide is NC(=O)C1(Nc2cccc(Br)c2)CCc2ccccc21.
What is the InChIKey of 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is DQHSOOWYTNJXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-12-5-3-6-13(10-12)19-16(15(18)20)9-8-11-4-1-2-7-14(11)16/h1-7,10,19H,8-9H2,(H2,18,20).
What are the key properties of 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide?
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 61006539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).