4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

C13H18F2N2O2 — CID 63186164

IUPAC4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17(4-3-5-18)13(19)9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5,16H2,1-2H3
InChIKeySIUABSSVVBGCMZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (PubChem CID 63186164) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
PubChem CID63186164
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17(4-3-5-18)13(19)9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5,16H2,1-2H3
InChIKeySIUABSSVVBGCMZ-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (CID 63186164) is 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The InChIKey is SIUABSSVVBGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(2)17(4-3-5-18)13(19)9-6-10(14)12(16)11(15)7-9/h6-8,18H,3-5,16H2,1-2H3.
What are the key properties of 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 63186164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).