3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride

C10H12ClF3N2O2 — CID 119295358

IUPAC3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H11F3N2O2.ClH/c11-7-5-6(15-9(16)3-4-14)1-2-8(7)17-10(12)13;/h1-2,5,10H,3-4,14H2,(H,15,16);1H
InChIKeyQWXILALKEOKYLE-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride

3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride (PubChem CID 119295358) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
PubChem CID119295358
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H11F3N2O2.ClH/c11-7-5-6(15-9(16)3-4-14)1-2-8(7)17-10(12)13;/h1-2,5,10H,3-4,14H2,(H,15,16);1H
InChIKeyQWXILALKEOKYLE-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 87026047
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride (CID 119295358) is 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride?
The InChIKey is QWXILALKEOKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2.ClH/c11-7-5-6(15-9(16)3-4-14)1-2-8(7)17-10(12)13;/h1-2,5,10H,3-4,14H2,(H,15,16);1H.
What are the key properties of 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride?
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride has a molecular weight of 284.67 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride is sourced from PubChem (CID 119295358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).