N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide

C14H18FN3O — CID 62838481

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C14H18FN3O/c1-4-17-9(2)5-14(19)18-13-7-11(8-16)6-12(15)10(13)3/h6-7,9,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyLJXKNXHVLRPUJM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds5

About N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide

N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 62838481) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
PubChem CID62838481
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C14H18FN3O/c1-4-17-9(2)5-14(19)18-13-7-11(8-16)6-12(15)10(13)3/h6-7,9,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyLJXKNXHVLRPUJM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pentanamide
CID 114014772
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
CID 43712227
3-fluoro-4-methyl-5-(pentan-2-ylamino)benzonitrile
CID 43728379
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
CID 61178263
3-fluoro-5-(1-methoxypropan-2-ylamino)-4-methylbenzonitrile
CID 62534320

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide (CID 62838481) is N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cc(C#N)cc(F)c1C.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is LJXKNXHVLRPUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-17-9(2)5-14(19)18-13-7-11(8-16)6-12(15)10(13)3/h6-7,9,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide has a molecular weight of 263.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62838481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).