N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C17H18ClFN2OS — CID 53171074

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1Cc2cc(C(=O)NCc3ccc(F)c(Cl)c3)sc2C1
InChIInChI=1S/C17H18ClFN2OS/c1-10(2)21-8-12-6-15(23-16(12)9-21)17(22)20-7-11-3-4-14(19)13(18)5-11/h3-6,10H,7-9H2,1-2H3,(H,20,22)
InChIKeyNQXXNAPZONEXQX-UHFFFAOYSA-N
MW352.86 g/mol
LogP4.19
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171074) has the molecular formula C17H18ClFN2OS and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171074
Molecular FormulaC17H18ClFN2OS
Molecular Weight352.86 g/mol
Exact Mass352.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1Cc2cc(C(=O)NCc3ccc(F)c(Cl)c3)sc2C1
InChIInChI=1S/C17H18ClFN2OS/c1-10(2)21-8-12-6-15(23-16(12)9-21)17(22)20-7-11-3-4-14(19)13(18)5-11/h3-6,10H,7-9H2,1-2H3,(H,20,22)
InChIKeyNQXXNAPZONEXQX-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44224132
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171074) is N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CC(C)N1Cc2cc(C(=O)NCc3ccc(F)c(Cl)c3)sc2C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is NQXXNAPZONEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2OS/c1-10(2)21-8-12-6-15(23-16(12)9-21)17(22)20-7-11-3-4-14(19)13(18)5-11/h3-6,10H,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).