N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide

C21H18FN3O — CID 163300286

IUPACN-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide
SMILESNc1ccc(CNC(=O)Cc2ccc3c(c2)[nH]c2cc(F)ccc23)cc1
InChIInChI=1S/C21H18FN3O/c22-15-4-8-18-17-7-3-14(9-19(17)25-20(18)11-15)10-21(26)24-12-13-1-5-16(23)6-2-13/h1-9,11,25H,10,12,23H2,(H,24,26)
InChIKeyVWOVBVQKOBSIMM-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.90
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide

N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide (PubChem CID 163300286) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide
PubChem CID163300286
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide
SMILESNc1ccc(CNC(=O)Cc2ccc3c(c2)[nH]c2cc(F)ccc23)cc1
InChIInChI=1S/C21H18FN3O/c22-15-4-8-18-17-7-3-14(9-19(17)25-20(18)11-15)10-21(26)24-12-13-1-5-16(23)6-2-13/h1-9,11,25H,10,12,23H2,(H,24,26)
InChIKeyVWOVBVQKOBSIMM-UHFFFAOYSA-N
XLogP3.90
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(7-fluoro-9H-carbazol-2-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 163300157
4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
CID 163300250
2-(9H-carbazol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 163300249
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-(9H-carbazol-2-yl)-N-[(2,3-dichlorophenyl)methyl]acetamide
CID 163300064
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide (CID 163300286) is N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide is Nc1ccc(CNC(=O)Cc2ccc3c(c2)[nH]c2cc(F)ccc23)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide?
The InChIKey is VWOVBVQKOBSIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-15-4-8-18-17-7-3-14(9-19(17)25-20(18)11-15)10-21(26)24-12-13-1-5-16(23)6-2-13/h1-9,11,25H,10,12,23H2,(H,24,26).
What are the key properties of N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide?
N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide is sourced from PubChem (CID 163300286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).