2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide

C12H15F2N3O2 — CID 55093625

IUPAC2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N3O2/c13-8-3-7(4-9(14)5-8)1-2-17-12(19)10(15)6-11(16)18/h3-5,10H,1-2,6,15H2,(H2,16,18)(H,17,19)
InChIKeyMSLGCSNNEUEWPV-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.17
Rot. Bonds6

About 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide

2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide (PubChem CID 55093625) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
PubChem CID55093625
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N3O2/c13-8-3-7(4-9(14)5-8)1-2-17-12(19)10(15)6-11(16)18/h3-5,10H,1-2,6,15H2,(H2,16,18)(H,17,19)
InChIKeyMSLGCSNNEUEWPV-UHFFFAOYSA-N
XLogP-0.17
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 162388053
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide (CID 55093625) is 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide?
The InChIKey is MSLGCSNNEUEWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-8-3-7(4-9(14)5-8)1-2-17-12(19)10(15)6-11(16)18/h3-5,10H,1-2,6,15H2,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide?
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide has a molecular weight of 271.27 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide is sourced from PubChem (CID 55093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).