N-cycloheptyl-3-(3,4-difluoroanilino)propanamide

C16H22F2N2O — CID 109031550

IUPACN-cycloheptyl-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)NC1CCCCCC1
InChIInChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyQCUHCEDOMCMNGC-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.61
Rot. Bonds5

About N-cycloheptyl-3-(3,4-difluoroanilino)propanamide

N-cycloheptyl-3-(3,4-difluoroanilino)propanamide (PubChem CID 109031550) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,4-difluoroanilino)propanamide
PubChem CID109031550
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-cycloheptyl-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)NC1CCCCCC1
InChIInChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyQCUHCEDOMCMNGC-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(3,4-difluoroanilino)propanamide (CID 109031550) is N-cycloheptyl-3-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)c(F)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(3,4-difluoroanilino)propanamide?
The InChIKey is QCUHCEDOMCMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21).
What are the key properties of N-cycloheptyl-3-(3,4-difluoroanilino)propanamide?
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide has a molecular weight of 296.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 109031550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).