tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate

C14H17ClFNO3 — CID 81435817

IUPACtert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17ClFNO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1
InChIKeyJWEWNDGZVYQTMP-MRVPVSSYSA-N
MW301.75 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate

tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate (PubChem CID 81435817) has the molecular formula C14H17ClFNO3 and a molecular weight of 301.75 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
PubChem CID81435817
Molecular FormulaC14H17ClFNO3
Molecular Weight301.75 g/mol
Exact Mass301.09
IUPAC Nametert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
SMILESC[C@@H](NC(=O)c1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H17ClFNO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1
InChIKeyJWEWNDGZVYQTMP-MRVPVSSYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 80998584
tert-butyl (2R)-2-[(4-bromo-3-fluorobenzoyl)amino]propanoate
CID 81003599
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313
tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[(3-fluoro-5-methylbenzoyl)amino]propanoate
CID 103774608
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
tert-butyl (2R)-2-[(5-bromo-2-fluorobenzoyl)amino]propanoate
CID 81003907
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716
tert-butyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
CID 80703086

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate (CID 81435817) is tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate is C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate?
The InChIKey is JWEWNDGZVYQTMP-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17ClFNO3/c1-8(13(19)20-14(2,3)4)17-12(18)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3,(H,17,18)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate?
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate has a molecular weight of 301.75 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 81435817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).