3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C10H10ClF3N2O — CID 170875799

IUPAC3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H2,16,17)
InChIKeyULJAPJVZRAOGHZ-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 170875799) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID170875799
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H2,16,17)
InChIKeyULJAPJVZRAOGHZ-UHFFFAOYSA-N
XLogP2.23
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[2,4-bis(trifluoromethyl)phenyl]propanamide
CID 170875789
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171229194
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171229179
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171209572
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171209583
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229213
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 170875799) is 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is NC(=O)CC(N)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ULJAPJVZRAOGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H2,16,17).
What are the key properties of 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 266.65 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 170875799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).