N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide

C16H17FN2O2 — CID 62919110

IUPACN-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-15-9-12(18)6-7-14(15)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyRDNNRSQQBXJONJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.45
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide

N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide (PubChem CID 62919110) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
PubChem CID62919110
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-15-9-12(18)6-7-14(15)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyRDNNRSQQBXJONJ-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.45
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

N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
CID 17265711
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide (CID 62919110) is N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide?
The InChIKey is RDNNRSQQBXJONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-15-9-12(18)6-7-14(15)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide?
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 62919110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).