N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide

C14H18FN3O — CID 61021223

IUPACN-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3O/c1-3-10(2)18-14(19)6-7-17-13-5-4-11(9-16)8-12(13)15/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyPJNBPTMLFFEMEC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds6

About N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide

N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide (PubChem CID 61021223) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
PubChem CID61021223
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3O/c1-3-10(2)18-14(19)6-7-17-13-5-4-11(9-16)8-12(13)15/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyPJNBPTMLFFEMEC-UHFFFAOYSA-N
XLogP2.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660
N-butan-2-yl-3-(4-cyano-3-fluoroanilino)propanamide
CID 115367391
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 78916121
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide (CID 61021223) is N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide is CCC(C)NC(=O)CCNc1ccc(C#N)cc1F.
What is the InChIKey of N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide?
The InChIKey is PJNBPTMLFFEMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-10(2)18-14(19)6-7-17-13-5-4-11(9-16)8-12(13)15/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide?
N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide has a molecular weight of 263.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide is sourced from PubChem (CID 61021223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).