N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide

C14H20F2N2O — CID 54861876

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)17-8-7-13(19)18-10(3)14-11(15)5-4-6-12(14)16/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyOPJRZPJCNIDNAL-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide

N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 54861876) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID54861876
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)17-8-7-13(19)18-10(3)14-11(15)5-4-6-12(14)16/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyOPJRZPJCNIDNAL-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]-3-(propan-2-ylamino)propanamide
CID 54924909
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
2-(1-aminocyclopentyl)-N-[1-(2,6-difluorophenyl)ethyl]acetamide
CID 64684072
N-(3-fluoro-2-iodophenyl)-3-(propan-2-ylamino)propanamide
CID 114259736
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
N-[1-(2,6-difluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286334
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
2-(cyclopropylmethylamino)-N-[1-(2,6-difluorophenyl)ethyl]acetamide;hydrochloride
CID 119716489
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide (CID 54861876) is N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is OPJRZPJCNIDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)17-8-7-13(19)18-10(3)14-11(15)5-4-6-12(14)16/h4-6,9-10,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[1-(2,6-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-(2,6-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54861876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).