N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide

C21H18FN3O2 — CID 67100693

IUPACN-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide
SMILESCC(F)C(=O)Nc1ccc(Oc2ccc3c(c2)[nH]c2cc(N)ccc23)cc1
InChIInChI=1S/C21H18FN3O2/c1-12(22)21(26)24-14-3-5-15(6-4-14)27-16-7-9-18-17-8-2-13(23)10-19(17)25-20(18)11-16/h2-12,25H,23H2,1H3,(H,24,26)
InChIKeyORQSDHHECUSHIK-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.99
Rot. Bonds4

About N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide

N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide (PubChem CID 67100693) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide.

Molecular Properties

Compound NameN-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide
PubChem CID67100693
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide
SMILESCC(F)C(=O)Nc1ccc(Oc2ccc3c(c2)[nH]c2cc(N)ccc23)cc1
InChIInChI=1S/C21H18FN3O2/c1-12(22)21(26)24-14-3-5-15(6-4-14)27-16-7-9-18-17-8-2-13(23)10-19(17)25-20(18)11-16/h2-12,25H,23H2,1H3,(H,24,26)
InChIKeyORQSDHHECUSHIK-UHFFFAOYSA-N
XLogP4.99
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
4-amino-N-(7-amino-9H-carbazol-2-yl)benzamide
CID 163961867
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
dimethyl 4-[4-(2-methylpropanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 9321663
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
(2R)-2-(9H-carbazol-2-yloxy)-N-(2-fluorophenyl)propanamide
CID 7714270
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 135552316

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide?
The IUPAC name of N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide (CID 67100693) is N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide.
What is the SMILES notation for N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide?
The canonical SMILES for N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide is CC(F)C(=O)Nc1ccc(Oc2ccc3c(c2)[nH]c2cc(N)ccc23)cc1.
What is the InChIKey of N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide?
The InChIKey is ORQSDHHECUSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12(22)21(26)24-14-3-5-15(6-4-14)27-16-7-9-18-17-8-2-13(23)10-19(17)25-20(18)11-16/h2-12,25H,23H2,1H3,(H,24,26).
What are the key properties of N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide?
N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide has a molecular weight of 363.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-amino-9H-carbazol-2-yl)oxy]phenyl]-2-fluoropropanamide is sourced from PubChem (CID 67100693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).