N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C13H14F4N2O — CID 124550256

IUPACN-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESN[C@@H](CNC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F4N2O/c14-10-4-3-8(5-9(10)13(15,16)17)12(20)19-6-11(18)7-1-2-7/h3-5,7,11H,1-2,6,18H2,(H,19,20)/t11-/m0/s1
InChIKeyWXLXKYXWSICIEN-NSHDSACASA-N
MW290.26 g/mol
LogP2.31
Rot. Bonds4

About N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 124550256) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID124550256
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC NameN-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESN[C@@H](CNC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F4N2O/c14-10-4-3-8(5-9(10)13(15,16)17)12(20)19-6-11(18)7-1-2-7/h3-5,7,11H,1-2,6,18H2,(H,19,20)/t11-/m0/s1
InChIKeyWXLXKYXWSICIEN-NSHDSACASA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 124550256) is N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is N[C@@H](CNC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is WXLXKYXWSICIEN-NSHDSACASA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-10-4-3-8(5-9(10)13(15,16)17)12(20)19-6-11(18)7-1-2-7/h3-5,7,11H,1-2,6,18H2,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 290.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 124550256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).