1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide

C16H19FN2O2 — CID 167514432

IUPAC1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide
SMILESCN(C)C1(C(=O)Nc2cc(F)c3c(c2)CC(C=O)C3)CC1
InChIInChI=1S/C16H19FN2O2/c1-19(2)16(3-4-16)15(21)18-12-7-11-5-10(9-20)6-13(11)14(17)8-12/h7-10H,3-6H2,1-2H3,(H,18,21)
InChIKeyCIFUJRGSXYAMML-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.77
Rot. Bonds4

About 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide

1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide (PubChem CID 167514432) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide
PubChem CID167514432
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide
SMILESCN(C)C1(C(=O)Nc2cc(F)c3c(c2)CC(C=O)C3)CC1
InChIInChI=1S/C16H19FN2O2/c1-19(2)16(3-4-16)15(21)18-12-7-11-5-10(9-20)6-13(11)14(17)8-12/h7-10H,3-6H2,1-2H3,(H,18,21)
InChIKeyCIFUJRGSXYAMML-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide
CID 167514497
2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide
CID 167514581
methyl 3-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156861926
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide
CID 167870217
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 115453477
1-amino-N-(3,5-difluoro-4-iodophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119764585
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288197

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide (CID 167514432) is 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide is CN(C)C1(C(=O)Nc2cc(F)c3c(c2)CC(C=O)C3)CC1.
What is the InChIKey of 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide?
The InChIKey is CIFUJRGSXYAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-19(2)16(3-4-16)15(21)18-12-7-11-5-10(9-20)6-13(11)14(17)8-12/h7-10H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide?
1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167514432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).