3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide

C17H18N2O2 — CID 43735416

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC1Cc2ccccc2C1
InChIInChI=1S/C17H18N2O2/c1-21-16-7-6-13(17(18)20)10-15(16)19-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,19H,8-9H2,1H3,(H2,18,20)
InChIKeyAOLBCGDUKNOPBE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.37
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide (PubChem CID 43735416) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
PubChem CID43735416
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC1Cc2ccccc2C1
InChIInChI=1S/C17H18N2O2/c1-21-16-7-6-13(17(18)20)10-15(16)19-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,19H,8-9H2,1H3,(H2,18,20)
InChIKeyAOLBCGDUKNOPBE-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
3-[(1,1-dioxothian-3-yl)amino]-4-methoxybenzamide
CID 63922418
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]benzamide
CID 10594629
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
2-(5-carbamoyl-2-methoxyanilino)propanoic acid
CID 66174329
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide (CID 43735416) is 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide?
The InChIKey is AOLBCGDUKNOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-7-6-13(17(18)20)10-15(16)19-14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,19H,8-9H2,1H3,(H2,18,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide?
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide is sourced from PubChem (CID 43735416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).