4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide

C20H21F2N3O2 — CID 123480859

IUPAC4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(N)C2CCc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C20H21F2N3O2/c1-24-20(27)11-2-5-13(6-3-11)25-19(26)10-18(23)14-7-4-12-8-16(21)17(22)9-15(12)14/h2-3,5-6,8-9,14,18H,4,7,10,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyUUUSSIDRKJSVFB-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.71
Rot. Bonds5

About 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide

4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide (PubChem CID 123480859) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide
PubChem CID123480859
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(N)C2CCc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C20H21F2N3O2/c1-24-20(27)11-2-5-13(6-3-11)25-19(26)10-18(23)14-7-4-12-8-16(21)17(22)9-15(12)14/h2-3,5-6,8-9,14,18H,4,7,10,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyUUUSSIDRKJSVFB-UHFFFAOYSA-N
XLogP2.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide with MolForge

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Related Compounds

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CID 49841217
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Phenylalanine derived inhibitor, 10
CID 23647700
Phenylalanine derived inhibitor, 11
CID 23647702
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CID 91895875
(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44338193
N-[4-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)phenyl]propanamide
CID 916027
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 2453286
N-[4-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 2467585
2-phenyl-N-[4-(1-pyrrolidinylcarbonyl)phenyl]butanamide
CID 2971289
N-[7-(acetylamino)-9-oxofluoren-2-yl]acetamide
CID 285260

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide (CID 123480859) is 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CC(N)C2CCc3cc(F)c(F)cc32)cc1.
What is the InChIKey of 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide?
The InChIKey is UUUSSIDRKJSVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-24-20(27)11-2-5-13(6-3-11)25-19(26)10-18(23)14-7-4-12-8-16(21)17(22)9-15(12)14/h2-3,5-6,8-9,14,18H,4,7,10,23H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide?
4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide has a molecular weight of 373.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 123480859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).