N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide

C14H18FN3O — CID 60854529

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCNC(C)C
InChIInChI=1S/C14H18FN3O/c1-9(2)17-5-4-14(19)18-13-7-11(8-16)6-12(15)10(13)3/h6-7,9,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyBDRVGXCHVZMPHN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds5

About N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide

N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60854529) 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-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID60854529
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCNC(C)C
InChIInChI=1S/C14H18FN3O/c1-9(2)17-5-4-14(19)18-13-7-11(8-16)6-12(15)10(13)3/h6-7,9,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyBDRVGXCHVZMPHN-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

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N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
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N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 937387
N-(2,5-dimethylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
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3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one
CID 662793
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
N-(2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 739968
N-(3-cyanophenyl)-2-methylpropanamide
CID 16383207
N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 1149653
N-(4-fluorophenyl)-3-(2-methylanilino)propanamide
CID 2510713

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide (CID 60854529) is N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide is Cc1c(F)cc(C#N)cc1NC(=O)CCNC(C)C.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is BDRVGXCHVZMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)17-5-4-14(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-(propan-2-ylamino)propanamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propanamide 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60854529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).