(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

C11H10ClF3N2O2 — CID 7014996

IUPAC(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNC(=O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF3N2O2/c12-7-3-1-6(2-4-7)8(5-9(16)18)17-10(19)11(13,14)15/h1-4,8H,5H2,(H2,16,18)(H,17,19)/t8-/m0/s1
InChIKeyYWIIDDAJCQDROM-QMMMGPOBSA-N
MW294.66 g/mol
LogP1.93
Rot. Bonds4

About (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide

(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 7014996) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID7014996
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNC(=O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClF3N2O2/c12-7-3-1-6(2-4-7)8(5-9(16)18)17-10(19)11(13,14)15/h1-4,8H,5H2,(H2,16,18)(H,17,19)/t8-/m0/s1
InChIKeyYWIIDDAJCQDROM-QMMMGPOBSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-propan-2-ylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 7009520
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(4-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 2766043
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661
N-[(1S)-3-amino-1-(4-chlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904694
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 2124112
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 7014996) is (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is NC(=O)C[C@H](NC(=O)C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is YWIIDDAJCQDROM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-7-3-1-6(2-4-7)8(5-9(16)18)17-10(19)11(13,14)15/h1-4,8H,5H2,(H2,16,18)(H,17,19)/t8-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
(3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 294.66 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 7014996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).