N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide

C16H20FNO — CID 63213492

IUPACN-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(F)c(C)c1)C1CCCC1
InChIInChI=1S/C16H20FNO/c1-3-10-18(14-6-4-5-7-14)16(19)13-8-9-15(17)12(2)11-13/h3,8-9,11,14H,1,4-7,10H2,2H3
InChIKeyGSGSEDRIPDJXNO-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.70
Rot. Bonds4

About N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide

N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide (PubChem CID 63213492) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
PubChem CID63213492
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(F)c(C)c1)C1CCCC1
InChIInChI=1S/C16H20FNO/c1-3-10-18(14-6-4-5-7-14)16(19)13-8-9-15(17)12(2)11-13/h3,8-9,11,14H,1,4-7,10H2,2H3
InChIKeyGSGSEDRIPDJXNO-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 113378374
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
N-cyclopropyl-4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213318
4-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoro-N-prop-2-enylbenzamide
CID 95143047
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide (CID 63213492) is N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(F)c(C)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide?
The InChIKey is GSGSEDRIPDJXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-10-18(14-6-4-5-7-14)16(19)13-8-9-15(17)12(2)11-13/h3,8-9,11,14H,1,4-7,10H2,2H3.
What are the key properties of N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide?
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide has a molecular weight of 261.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 63213492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).