N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide

C12H15F2NO — CID 145176133

IUPACN-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-3-12(16)15-8(2)4-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyHRCSDRAYQHDPFQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide

N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide (PubChem CID 145176133) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
PubChem CID145176133
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-3-12(16)15-8(2)4-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyHRCSDRAYQHDPFQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
(2S)-1-(3,5-difluorophenyl)-2-(methylamino)pentan-3-one
CID 58998587
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
CID 84590677
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-4-methylpentanamide
CID 11749437
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981
2-[3-chloro-2-[[2-[[(2R)-1-(3,5-difluorophenyl)propan-2-yl]amino]-2-oxoethyl]-methylamino]-N-formylanilino]acetamide
CID 145176002
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide (CID 145176133) is N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide is CCC(=O)NC(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide?
The InChIKey is HRCSDRAYQHDPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-12(16)15-8(2)4-9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide?
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide has a molecular weight of 227.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 145176133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).