4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide

C16H18FN3O — CID 80505506

IUPAC4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NCCC(N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H18FN3O/c17-13-10-12(16(19)21)6-7-15(13)20-9-8-14(18)11-4-2-1-3-5-11/h1-7,10,14,20H,8-9,18H2,(H2,19,21)
InChIKeyQPQOCMHPNQNTKZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.43
Rot. Bonds6

About 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide

4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide (PubChem CID 80505506) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
PubChem CID80505506
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
SMILESNC(=O)c1ccc(NCCC(N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H18FN3O/c17-13-10-12(16(19)21)6-7-15(13)20-9-8-14(18)11-4-2-1-3-5-11/h1-7,10,14,20H,8-9,18H2,(H2,19,21)
InChIKeyQPQOCMHPNQNTKZ-UHFFFAOYSA-N
XLogP2.43
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide
CID 112748882
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
CID 63194773

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide (CID 80505506) is 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide is NC(=O)c1ccc(NCCC(N)c2ccccc2)c(F)c1.
What is the InChIKey of 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide?
The InChIKey is QPQOCMHPNQNTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-10-12(16(19)21)6-7-15(13)20-9-8-14(18)11-4-2-1-3-5-11/h1-7,10,14,20H,8-9,18H2,(H2,19,21).
What are the key properties of 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide?
4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide is sourced from PubChem (CID 80505506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).