4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid

C21H15FN2O3 — CID 163300250

IUPAC4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc2c(c1)[nH]c1cc(F)ccc12)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H15FN2O3/c22-14-4-8-17-16-7-1-12(9-18(16)24-19(17)11-14)10-20(25)23-15-5-2-13(3-6-15)21(26)27/h1-9,11,24H,10H2,(H,23,25)(H,26,27)
InChIKeyREHQHYKRIWMECU-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.34
Rot. Bonds4

About 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid

4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid (PubChem CID 163300250) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
PubChem CID163300250
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc2c(c1)[nH]c1cc(F)ccc12)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H15FN2O3/c22-14-4-8-17-16-7-1-12(9-18(16)24-19(17)11-14)10-20(25)23-15-5-2-13(3-6-15)21(26)27/h1-9,11,24H,10H2,(H,23,25)(H,26,27)
InChIKeyREHQHYKRIWMECU-UHFFFAOYSA-N
XLogP4.34
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
N-[4-(aminomethyl)phenyl]-2-(6,7-difluoro-9H-carbazol-2-yl)acetamide
CID 163300217
2-(7-fluoro-9H-carbazol-2-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 163300157
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid (CID 163300250) is 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid is O=C(Cc1ccc2c(c1)[nH]c1cc(F)ccc12)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid?
The InChIKey is REHQHYKRIWMECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-14-4-8-17-16-7-1-12(9-18(16)24-19(17)11-14)10-20(25)23-15-5-2-13(3-6-15)21(26)27/h1-9,11,24H,10H2,(H,23,25)(H,26,27).
What are the key properties of 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid?
4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid has a molecular weight of 362.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-fluoro-9H-carbazol-2-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 163300250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).