N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide

C16H18F6N2O2 — CID 52771706

IUPACN-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H18F6N2O2/c1-8(12(25)24-14(2,3)4)23-13(26)9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h5-8H,1-4H3,(H,23,26)(H,24,25)/t8-/m1/s1
InChIKeySRVSBFHTBMRVQN-MRVPVSSYSA-N
MW384.32 g/mol
LogP3.76
Rot. Bonds3

About N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide

N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 52771706) has the molecular formula C16H18F6N2O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID52771706
Molecular FormulaC16H18F6N2O2
Molecular Weight384.32 g/mol
Exact Mass384.13
IUPAC NameN-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H18F6N2O2/c1-8(12(25)24-14(2,3)4)23-13(26)9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h5-8H,1-4H3,(H,23,26)(H,24,25)/t8-/m1/s1
InChIKeySRVSBFHTBMRVQN-MRVPVSSYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromo-5-(trifluoromethyl)benzamide
CID 171390349
N-[(2S)-1-amino-3,3-dimethylbutan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 129289013
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 51121860
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-(3-azidobutan-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 74080724
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylpentanoate
CID 112791620

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide (CID 52771706) is N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide is C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is SRVSBFHTBMRVQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H18F6N2O2/c1-8(12(25)24-14(2,3)4)23-13(26)9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h5-8H,1-4H3,(H,23,26)(H,24,25)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 384.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 52771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).