(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide

C13H16F2N2O — CID 112735331

IUPAC(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESN[C@@H](CC1CC1)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-3-9(11(15)6-10)7-17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,16H2,(H,17,18)/t12-/m0/s1
InChIKeyYIGCDYZNOZPZAP-LBPRGKRZSA-N
MW254.28 g/mol
LogP1.71
Rot. Bonds5

About (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide

(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide (PubChem CID 112735331) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
PubChem CID112735331
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
SMILESN[C@@H](CC1CC1)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c14-10-4-3-9(11(15)6-10)7-17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,16H2,(H,17,18)/t12-/m0/s1
InChIKeyYIGCDYZNOZPZAP-LBPRGKRZSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide (CID 112735331) is (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide is N[C@@H](CC1CC1)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
The InChIKey is YIGCDYZNOZPZAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-3-9(11(15)6-10)7-17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,7,16H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide?
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide has a molecular weight of 254.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 112735331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).