N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide

C19H18F2N2O2 — CID 30489420

IUPACN-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18F2N2O2/c20-14-5-7-16(17(21)11-14)19(25)22-9-8-18(24)23-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,25)(H,23,24)
InChIKeyOYUHBGHWVWXAMU-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.21
Rot. Bonds5

About N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide

N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 30489420) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID30489420
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18F2N2O2/c20-14-5-7-16(17(21)11-14)19(25)22-9-8-18(24)23-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,25)(H,23,24)
InChIKeyOYUHBGHWVWXAMU-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
CID 55732235
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55784346
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide (CID 30489420) is N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is OYUHBGHWVWXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-14-5-7-16(17(21)11-14)19(25)22-9-8-18(24)23-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 344.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 30489420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).