3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide

C13H16FN3O2 — CID 115738037

IUPAC3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCCNC(=O)C2CC2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-10-4-3-9(7-11(10)15)13(19)17-6-5-16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyDRPWLEHINJMBFG-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.66
Rot. Bonds5

About 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide

3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide (PubChem CID 115738037) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
PubChem CID115738037
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCCNC(=O)C2CC2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-10-4-3-9(7-11(10)15)13(19)17-6-5-16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyDRPWLEHINJMBFG-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
3-amino-4-fluoro-N-pent-3-ynylbenzamide
CID 116642578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide (CID 115738037) is 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide is Nc1cc(C(=O)NCCNC(=O)C2CC2)ccc1F.
What is the InChIKey of 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide?
The InChIKey is DRPWLEHINJMBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-4-3-9(7-11(10)15)13(19)17-6-5-16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,15H2,(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide?
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide has a molecular weight of 265.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 115738037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).