N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide

C14H16FN3O — CID 54925369

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H16FN3O/c1-9-12(15)6-10(8-16)7-13(9)18-14(19)4-5-17-11-2-3-11/h6-7,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyUJRWJYXBLBTHQR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.09
Rot. Bonds5

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

N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide (PubChem CID 54925369) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
PubChem CID54925369
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCNC1CC1
InChIInChI=1S/C14H16FN3O/c1-9-12(15)6-10(8-16)7-13(9)18-14(19)4-5-17-11-2-3-11/h6-7,11,17H,2-5H2,1H3,(H,18,19)
InChIKeyUJRWJYXBLBTHQR-UHFFFAOYSA-N
XLogP2.09
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
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-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62838481
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
CID 82707532
(2S)-N-(5-cyano-3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 61178083
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide (CID 54925369) is N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide is Cc1c(F)cc(C#N)cc1NC(=O)CCNC1CC1.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide?
The InChIKey is UJRWJYXBLBTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-12(15)6-10(8-16)7-13(9)18-14(19)4-5-17-11-2-3-11/h6-7,11,17H,2-5H2,1H3,(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide has a molecular weight of 261.30 g/mol, XLogP of 2.09, 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-(cyclopropylamino)propanamide is sourced from PubChem (CID 54925369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).