2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid

C16H15FN2O4 — CID 18929238

IUPAC2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)CNc2ccccc2F)c(C(=O)O)c1
InChIInChI=1S/C16H15FN2O4/c1-23-10-6-7-13(11(8-10)16(21)22)19-15(20)9-18-14-5-3-2-4-12(14)17/h2-8,18H,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKHWUUQZYQIXVHR-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.58
Rot. Bonds6

About 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid

2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid (PubChem CID 18929238) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid
PubChem CID18929238
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)CNc2ccccc2F)c(C(=O)O)c1
InChIInChI=1S/C16H15FN2O4/c1-23-10-6-7-13(11(8-10)16(21)22)19-15(20)9-18-14-5-3-2-4-12(14)17/h2-8,18H,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKHWUUQZYQIXVHR-UHFFFAOYSA-N
XLogP2.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid (CID 18929238) is 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)CNc2ccccc2F)c(C(=O)O)c1.
What is the InChIKey of 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid?
The InChIKey is KHWUUQZYQIXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-23-10-6-7-13(11(8-10)16(21)22)19-15(20)9-18-14-5-3-2-4-12(14)17/h2-8,18H,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid?
2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid has a molecular weight of 318.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid is sourced from PubChem (CID 18929238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).