3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide

C17H18FN3O2 — CID 92944450

IUPAC3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H18FN3O2/c18-13-6-7-14(15(11-13)21-16(22)8-9-19)20-17(23)10-12-4-2-1-3-5-12/h1-7,11H,8-10,19H2,(H,20,23)(H,21,22)
InChIKeyRAWXWRKDELHLOK-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide

3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide (PubChem CID 92944450) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
PubChem CID92944450
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
SMILESNCCC(=O)Nc1cc(F)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H18FN3O2/c18-13-6-7-14(15(11-13)21-16(22)8-9-19)20-17(23)10-12-4-2-1-3-5-12/h1-7,11H,8-10,19H2,(H,20,23)(H,21,22)
InChIKeyRAWXWRKDELHLOK-UHFFFAOYSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
CID 2993907
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide (CID 92944450) is 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide is NCCC(=O)Nc1cc(F)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide?
The InChIKey is RAWXWRKDELHLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-6-7-14(15(11-13)21-16(22)8-9-19)20-17(23)10-12-4-2-1-3-5-12/h1-7,11H,8-10,19H2,(H,20,23)(H,21,22).
What are the key properties of 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide?
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide has a molecular weight of 315.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 92944450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).