N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide

C19H14ClFN2O2 — CID 166904459

IUPACN-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C19H14ClFN2O2/c20-17-8-15(3-4-16(17)18-9-22-10-25-18)23-19(24)13-5-11-1-2-14(21)7-12(11)6-13/h1-4,7-10,13H,5-6H2,(H,23,24)
InChIKeyLQUMNNTVDSMRDN-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.49
Rot. Bonds3

About N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide

N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 166904459) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID166904459
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC NameN-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)c(Cl)c1)C1Cc2ccc(F)cc2C1
InChIInChI=1S/C19H14ClFN2O2/c20-17-8-15(3-4-16(17)18-9-22-10-25-18)23-19(24)13-5-11-1-2-14(21)7-12(11)6-13/h1-4,7-10,13H,5-6H2,(H,23,24)
InChIKeyLQUMNNTVDSMRDN-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-7-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866913
(3S)-N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 176592594
(3R)-N-[4-(1,3-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 175866896
N-[3-chloro-2-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 166904191
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704006
6-fluoro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571682
1-N-(3,4-dichlorophenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144008
2-N-(3,4-dichlorophenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144113
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834748
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893109
5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide (CID 166904459) is N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1ccc(-c2cnco2)c(Cl)c1)C1Cc2ccc(F)cc2C1.
What is the InChIKey of N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is LQUMNNTVDSMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-17-8-15(3-4-16(17)18-9-22-10-25-18)23-19(24)13-5-11-1-2-14(21)7-12(11)6-13/h1-4,7-10,13H,5-6H2,(H,23,24).
What are the key properties of N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide?
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 356.78 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-5-fluoro-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 166904459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).