3-fluoro-5-formamido-4-methylbenzamide

C9H9FN2O2 — CID 64992744

IUPAC3-fluoro-5-formamido-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC=O
InChIInChI=1S/C9H9FN2O2/c1-5-7(10)2-6(9(11)14)3-8(5)12-4-13/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyZCMQUBYGRFGVFX-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.80
Rot. Bonds3

About 3-fluoro-5-formamido-4-methylbenzamide

3-fluoro-5-formamido-4-methylbenzamide (PubChem CID 64992744) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-fluoro-5-formamido-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-formamido-4-methylbenzamide
PubChem CID64992744
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name3-fluoro-5-formamido-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC=O
InChIInChI=1S/C9H9FN2O2/c1-5-7(10)2-6(9(11)14)3-8(5)12-4-13/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeyZCMQUBYGRFGVFX-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
4-(5-carbamoyl-3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993167
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
CID 79462509

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-formamido-4-methylbenzamide?
The IUPAC name of 3-fluoro-5-formamido-4-methylbenzamide (CID 64992744) is 3-fluoro-5-formamido-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-5-formamido-4-methylbenzamide?
The canonical SMILES for 3-fluoro-5-formamido-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC=O.
What is the InChIKey of 3-fluoro-5-formamido-4-methylbenzamide?
The InChIKey is ZCMQUBYGRFGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-5-7(10)2-6(9(11)14)3-8(5)12-4-13/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 3-fluoro-5-formamido-4-methylbenzamide?
3-fluoro-5-formamido-4-methylbenzamide has a molecular weight of 196.18 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-formamido-4-methylbenzamide is sourced from PubChem (CID 64992744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).