N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide

C10H12ClFN2O — CID 104873137

IUPACN-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
SMILESC[C@H](CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(5-13)14-10(15)8-3-2-7(12)4-9(8)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyMXCRGIWIQNRPBL-ZCFIWIBFSA-N
MW230.67 g/mol
LogP1.56
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide

N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide (PubChem CID 104873137) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
PubChem CID104873137
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
SMILESC[C@H](CN)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(5-13)14-10(15)8-3-2-7(12)4-9(8)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyMXCRGIWIQNRPBL-ZCFIWIBFSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-[(2S)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzamide
CID 120506353
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide (CID 104873137) is N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide is C[C@H](CN)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide?
The InChIKey is MXCRGIWIQNRPBL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6(5-13)14-10(15)8-3-2-7(12)4-9(8)11/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide?
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide has a molecular weight of 230.67 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 104873137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).