N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide

C14H18FN3O — CID 84817919

IUPACN-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CNC(C#N)c1ccc(F)c(C)c1
InChIInChI=1S/C14H18FN3O/c1-9-6-12(4-5-13(9)15)14(7-16)17-8-10(2)18-11(3)19/h4-6,10,14,17H,8H2,1-3H3,(H,18,19)
InChIKeyWIXVRPBNSIHAHC-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.81
Rot. Bonds5

About N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide

N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide (PubChem CID 84817919) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide
PubChem CID84817919
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CNC(C#N)c1ccc(F)c(C)c1
InChIInChI=1S/C14H18FN3O/c1-9-6-12(4-5-13(9)15)14(7-16)17-8-10(2)18-11(3)19/h4-6,10,14,17H,8H2,1-3H3,(H,18,19)
InChIKeyWIXVRPBNSIHAHC-UHFFFAOYSA-N
XLogP1.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
CID 84817888
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
2-(4-fluoro-3-methylphenyl)-4-methylpentanenitrile
CID 82077124
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
(3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoic acid
CID 42073479
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
2-(dimethylamino)-3-(4-fluoro-3-methylphenyl)butanenitrile
CID 82079823
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933

Frequently Asked Questions

What is the IUPAC name of N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide?
The IUPAC name of N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide (CID 84817919) is N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide is CC(=O)NC(C)CNC(C#N)c1ccc(F)c(C)c1.
What is the InChIKey of N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide?
The InChIKey is WIXVRPBNSIHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-6-12(4-5-13(9)15)14(7-16)17-8-10(2)18-11(3)19/h4-6,10,14,17H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide?
N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide is sourced from PubChem (CID 84817919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).