2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide

C13H18FN3O — CID 63996582

IUPAC2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
SMILESCC(CC1CC1)Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H18FN3O/c1-7(4-8-2-3-8)17-12-5-9(13(16)18)11(15)6-10(12)14/h5-8,17H,2-4,15H2,1H3,(H2,16,18)
InChIKeyFDKGKAJAPBDVNU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide

2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide (PubChem CID 63996582) has the molecular formula C13H18FN3O and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
PubChem CID63996582
Molecular FormulaC13H18FN3O
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
SMILESCC(CC1CC1)Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H18FN3O/c1-7(4-8-2-3-8)17-12-5-9(13(16)18)11(15)6-10(12)14/h5-8,17H,2-4,15H2,1H3,(H2,16,18)
InChIKeyFDKGKAJAPBDVNU-UHFFFAOYSA-N
XLogP2.11
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide?
The IUPAC name of 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide (CID 63996582) is 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide is CC(CC1CC1)Nc1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide?
The InChIKey is FDKGKAJAPBDVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-7(4-8-2-3-8)17-12-5-9(13(16)18)11(15)6-10(12)14/h5-8,17H,2-4,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide?
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide has a molecular weight of 251.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide is sourced from PubChem (CID 63996582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).