N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide

C10H14FN3O — CID 66516971

IUPACN-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](N)CN)cc1F
InChIInChI=1S/C10H14FN3O/c1-6(15)14-10-3-2-7(4-8(10)11)9(13)5-12/h2-4,9H,5,12-13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQKZPASNCEYHKAH-SECBINFHSA-N
MW211.24 g/mol
LogP0.74
Rot. Bonds3

About N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide

N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide (PubChem CID 66516971) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
PubChem CID66516971
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC NameN-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H](N)CN)cc1F
InChIInChI=1S/C10H14FN3O/c1-6(15)14-10-3-2-7(4-8(10)11)9(13)5-12/h2-4,9H,5,12-13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQKZPASNCEYHKAH-SECBINFHSA-N
XLogP0.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
CID 66516552
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
prop-1-en-2-yl N-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]carbamate
CID 89353068
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
N-[4-[(1S)-1,4-diaminobutyl]phenyl]acetamide
CID 171226174
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
N-[4-(1-ethoxyethenyl)-2-fluorophenyl]acetamide
CID 164896874

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide (CID 66516971) is N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide is CC(=O)Nc1ccc([C@H](N)CN)cc1F.
What is the InChIKey of N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide?
The InChIKey is QKZPASNCEYHKAH-SECBINFHSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(15)14-10-3-2-7(4-8(10)11)9(13)5-12/h2-4,9H,5,12-13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide?
N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide has a molecular weight of 211.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 66516971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).