(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

C10H10ClF3N2O — CID 22690588

IUPAC(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m0/s1
InChIKeyNVVCSVAPHUQQDN-YFKPBYRVSA-N
MW266.65 g/mol
LogP2.64
Rot. Bonds2

About (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 22690588) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID22690588
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m0/s1
InChIKeyNVVCSVAPHUQQDN-YFKPBYRVSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 22690588) is (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NVVCSVAPHUQQDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 266.65 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22690588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).