N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide

C14H20F2N2O — CID 54924909

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)17-7-6-14(19)18-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyBDYXTXKXHXKJPG-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide

N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 54924909) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID54924909
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)17-7-6-14(19)18-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyBDYXTXKXHXKJPG-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54861876
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (CID 54924909) is N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is BDYXTXKXHXKJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)17-7-6-14(19)18-10(3)11-4-5-12(15)13(16)8-11/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).