2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide

C19H22FN3O2 — CID 119289645

IUPAC2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H22FN3O2/c1-2-6-16(21)19(25)22-14-9-10-15(20)17(12-14)23-18(24)11-13-7-4-3-5-8-13/h3-5,7-10,12,16H,2,6,11,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyWIZGJCHFVQSOTL-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.07
Rot. Bonds7

About 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide

2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide (PubChem CID 119289645) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
PubChem CID119289645
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H22FN3O2/c1-2-6-16(21)19(25)22-14-9-10-15(20)17(12-14)23-18(24)11-13-7-4-3-5-8-13/h3-5,7-10,12,16H,2,6,11,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyWIZGJCHFVQSOTL-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The IUPAC name of 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide (CID 119289645) is 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The InChIKey is WIZGJCHFVQSOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-6-16(21)19(25)22-14-9-10-15(20)17(12-14)23-18(24)11-13-7-4-3-5-8-13/h3-5,7-10,12,16H,2,6,11,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide has a molecular weight of 343.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide is sourced from PubChem (CID 119289645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).