N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

C15H22FN3O — CID 43587980

IUPACN-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(N)c1)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyVRURKTJXMJCUHP-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.47
Rot. Bonds7

About N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (PubChem CID 43587980) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
PubChem CID43587980
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(N)c1)CC1CC1
InChIInChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyVRURKTJXMJCUHP-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(3-amino-4-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982408
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871
N-(3-amino-4-fluorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540705
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (CID 43587980) is N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(F)c(N)c1)CC1CC1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The InChIKey is VRURKTJXMJCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is sourced from PubChem (CID 43587980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).