2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide

C16H14Cl2N2O — CID 115348892

IUPAC2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-2-1-9-6-13(7-10(9)5-11)20-12-3-4-14(16(19)21)15(18)8-12/h1-5,8,13,20H,6-7H2,(H2,19,21)
InChIKeyXGXPCVSISGFMSL-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.67
Rot. Bonds3

About 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide

2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide (PubChem CID 115348892) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
PubChem CID115348892
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-2-1-9-6-13(7-10(9)5-11)20-12-3-4-14(16(19)21)15(18)8-12/h1-5,8,13,20H,6-7H2,(H2,19,21)
InChIKeyXGXPCVSISGFMSL-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348945
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348856
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
CID 55152995
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
CID 114161759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide (CID 115348892) is 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide is NC(=O)c1ccc(NC2Cc3ccc(Cl)cc3C2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide?
The InChIKey is XGXPCVSISGFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-11-2-1-9-6-13(7-10(9)5-11)20-12-3-4-14(16(19)21)15(18)8-12/h1-5,8,13,20H,6-7H2,(H2,19,21).
What are the key properties of 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide?
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide has a molecular weight of 321.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide is sourced from PubChem (CID 115348892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).