5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide

C15H14FN3O2 — CID 103296054

IUPAC5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cccc(C(N)=O)c2)c1F
InChIInChI=1S/C15H14FN3O2/c1-8-5-10(17)7-12(13(8)16)15(21)19-11-4-2-3-9(6-11)14(18)20/h2-7H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyLOOVBOWARIDXJA-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.07
Rot. Bonds3

About 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide

5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296054) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID103296054
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cccc(C(N)=O)c2)c1F
InChIInChI=1S/C15H14FN3O2/c1-8-5-10(17)7-12(13(8)16)15(21)19-11-4-2-3-9(6-11)14(18)20/h2-7H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyLOOVBOWARIDXJA-UHFFFAOYSA-N
XLogP2.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.07
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

N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448
N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297780
5-amino-2-fluoro-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 103296420
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide (CID 103296054) is 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2cccc(C(N)=O)c2)c1F.
What is the InChIKey of 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is LOOVBOWARIDXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-8-5-10(17)7-12(13(8)16)15(21)19-11-4-2-3-9(6-11)14(18)20/h2-7H,17H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).