5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide

C15H14ClFN2O3 — CID 94811176

IUPAC5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1
InChIInChI=1S/C15H14ClFN2O3/c1-9(14(20)18-8-11-3-2-6-22-11)19-15(21)12-7-10(16)4-5-13(12)17/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyYNADFKZHZYQETM-SECBINFHSA-N
MW324.74 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide

5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 94811176) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID94811176
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1
InChIInChI=1S/C15H14ClFN2O3/c1-9(14(20)18-8-11-3-2-6-22-11)19-15(21)12-7-10(16)4-5-13(12)17/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyYNADFKZHZYQETM-SECBINFHSA-N
XLogP2.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-methylbenzamide
CID 97329400
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide (CID 94811176) is 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide is C[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)NCc1ccco1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is YNADFKZHZYQETM-SECBINFHSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-9(14(20)18-8-11-3-2-6-22-11)19-15(21)12-7-10(16)4-5-13(12)17/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide?
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 324.74 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 94811176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).