N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide

C18H15ClFNO2 — CID 124892455

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFNO2/c1-11(9-13-10-12-5-2-3-8-16(12)23-13)21-18(22)17-14(19)6-4-7-15(17)20/h2-8,10-11H,9H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyRDWKESQTXKAVDF-NSHDSACASA-N
MW331.77 g/mol
LogP4.59
Rot. Bonds4

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide (PubChem CID 124892455) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
PubChem CID124892455
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFNO2/c1-11(9-13-10-12-5-2-3-8-16(12)23-13)21-18(22)17-14(19)6-4-7-15(17)20/h2-8,10-11H,9H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyRDWKESQTXKAVDF-NSHDSACASA-N
XLogP4.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide (CID 124892455) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide is C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is RDWKESQTXKAVDF-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-11(9-13-10-12-5-2-3-8-16(12)23-13)21-18(22)17-14(19)6-4-7-15(17)20/h2-8,10-11H,9H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 331.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 124892455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).