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

C19H21FN2O2 — CID 87006947

IUPACN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H21FN2O2/c1-2-3-9-18(23)21-15-10-11-16(20)17(13-15)22-19(24)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIIDSPNYMKSBSDX-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.14
Rot. Bonds7

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

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide (PubChem CID 87006947) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
PubChem CID87006947
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H21FN2O2/c1-2-3-9-18(23)21-15-10-11-16(20)17(13-15)22-19(24)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIIDSPNYMKSBSDX-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 119289645
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
(E)-3-[2-fluoro-5-(pentanoylamino)phenyl]prop-2-enoic acid
CID 104781397

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide (CID 87006947) is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide.
What is the SMILES notation for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The canonical SMILES for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
The InChIKey is IIDSPNYMKSBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-3-9-18(23)21-15-10-11-16(20)17(13-15)22-19(24)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide?
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide has a molecular weight of 328.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide is sourced from PubChem (CID 87006947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).