4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide

C14H19FN2O — CID 113475198

IUPAC4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyJKDRENQHFDQJBA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.06
Rot. Bonds6

About 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide

4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide (PubChem CID 113475198) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
PubChem CID113475198
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyJKDRENQHFDQJBA-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide (CID 113475198) is 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide is CC(CNCc1ccc(C(N)=O)cc1F)C1CC1.
What is the InChIKey of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The InChIKey is JKDRENQHFDQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18).
What are the key properties of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 113475198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).