N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide

C14H18F2N2O — CID 82816392

IUPACN-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCCNC2CC2)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-3-6-11(15)12(13(9)16)14(19)18-8-2-7-17-10-4-5-10/h3,6,10,17H,2,4-5,7-8H2,1H3,(H,18,19)
InChIKeySPJHOPFQKMNUIP-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.15
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide

N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide (PubChem CID 82816392) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
PubChem CID82816392
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCCCNC2CC2)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-3-6-11(15)12(13(9)16)14(19)18-8-2-7-17-10-4-5-10/h3,6,10,17H,2,4-5,7-8H2,1H3,(H,18,19)
InChIKeySPJHOPFQKMNUIP-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
N-[3-(cyclopropylamino)propyl]-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297688
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
CID 82818366
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
CID 82827774
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide (CID 82816392) is N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NCCCNC2CC2)c1F.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is SPJHOPFQKMNUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-3-6-11(15)12(13(9)16)14(19)18-8-2-7-17-10-4-5-10/h3,6,10,17H,2,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide?
N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82816392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).