3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride

C14H18ClF3N2O — CID 119766578

IUPAC3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CC1c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-8(18)6-13(20)19-12-7-10(12)9-4-2-3-5-11(9)14(15,16)17;/h2-5,8,10,12H,6-7,18H2,1H3,(H,19,20);1H
InChIKeyYJGUWWVKDIYSKV-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.84
Rot. Bonds4

About 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride

3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride (PubChem CID 119766578) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
PubChem CID119766578
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CC1c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-8(18)6-13(20)19-12-7-10(12)9-4-2-3-5-11(9)14(15,16)17;/h2-5,8,10,12H,6-7,18H2,1H3,(H,19,20);1H
InChIKeyYJGUWWVKDIYSKV-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124731048
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
CID 95273586
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297576
3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297577
2-(methylamino)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide;hydrochloride
CID 120705635
2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95283670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride (CID 119766578) is 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride is CC(N)CC(=O)NC1CC1c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride?
The InChIKey is YJGUWWVKDIYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c1-8(18)6-13(20)19-12-7-10(12)9-4-2-3-5-11(9)14(15,16)17;/h2-5,8,10,12H,6-7,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride?
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride is sourced from PubChem (CID 119766578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).