N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

C18H19FN2O3 — CID 86926661

IUPACN-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-12-14(19)7-8-15(16)21-17(22)9-10-20-18(23)11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyNNPUFPXMXKYTCG-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.52
Rot. Bonds7

About N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 86926661) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID86926661
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-12-14(19)7-8-15(16)21-17(22)9-10-20-18(23)11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyNNPUFPXMXKYTCG-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
N-(4-fluoro-2-methoxyphenyl)-3-(2-nitroanilino)propanamide
CID 86926664
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (CID 86926661) is N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is COc1cc(F)ccc1NC(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is NNPUFPXMXKYTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-16-12-14(19)7-8-15(16)21-17(22)9-10-20-18(23)11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 330.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 86926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).