2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide

C14H16F2N2O — CID 138693223

IUPAC2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)C(C)(F)F
InChIInChI=1S/C14H16F2N2O/c1-9(18-13(19)14(2,15)16)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)
InChIKeyQRVLHGROTPXBCL-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.87
Rot. Bonds4

About 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide

2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide (PubChem CID 138693223) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
PubChem CID138693223
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)C(C)(F)F
InChIInChI=1S/C14H16F2N2O/c1-9(18-13(19)14(2,15)16)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,17H,7H2,1-2H3,(H,18,19)
InChIKeyQRVLHGROTPXBCL-UHFFFAOYSA-N
XLogP2.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
(E)-4-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]-4-oxobut-2-enoate
CID 6998653
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide (CID 138693223) is 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide is CC(Cc1c[nH]c2ccccc12)NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide?
The InChIKey is QRVLHGROTPXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-9(18-13(19)14(2,15)16)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide?
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide has a molecular weight of 266.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide is sourced from PubChem (CID 138693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).