4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide

C16H14BrClN2O — CID 103846432

IUPAC4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCc3c(Br)cccc32)cc1Cl
InChIInChI=1S/C16H14BrClN2O/c17-13-3-1-2-11-10(13)6-7-15(11)20-9-4-5-12(16(19)21)14(18)8-9/h1-5,8,15,20H,6-7H2,(H2,19,21)
InChIKeyIFFMDWJZPGGBPA-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.30
Rot. Bonds3

About 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide

4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide (PubChem CID 103846432) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
PubChem CID103846432
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCc3c(Br)cccc32)cc1Cl
InChIInChI=1S/C16H14BrClN2O/c17-13-3-1-2-11-10(13)6-7-15(11)20-9-4-5-12(16(19)21)14(18)8-9/h1-5,8,15,20H,6-7H2,(H2,19,21)
InChIKeyIFFMDWJZPGGBPA-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 103846407
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-[6-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 77385602
4-bromo-N-[4-[(dimethylamino)methyl]phenyl]-2,3-dihydro-1H-inden-1-amine
CID 103931051
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 103932343
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide?
The IUPAC name of 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide (CID 103846432) is 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide?
The canonical SMILES for 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide is NC(=O)c1ccc(NC2CCc3c(Br)cccc32)cc1Cl.
What is the InChIKey of 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide?
The InChIKey is IFFMDWJZPGGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-13-3-1-2-11-10(13)6-7-15(11)20-9-4-5-12(16(19)21)14(18)8-9/h1-5,8,15,20H,6-7H2,(H2,19,21).
What are the key properties of 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide?
4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide has a molecular weight of 365.66 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide is sourced from PubChem (CID 103846432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).