4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide

C14H13ClF2N2O — CID 82771438

IUPAC4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
SMILESN#CCN(C(=O)c1cc(F)c(Cl)cc1F)C1CCCC1
InChIInChI=1S/C14H13ClF2N2O/c15-11-8-12(16)10(7-13(11)17)14(20)19(6-5-18)9-3-1-2-4-9/h7-9H,1-4,6H2
InChIKeyPQJUMDGYXIUKSJ-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide

4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide (PubChem CID 82771438) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
PubChem CID82771438
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
SMILESN#CCN(C(=O)c1cc(F)c(Cl)cc1F)C1CCCC1
InChIInChI=1S/C14H13ClF2N2O/c15-11-8-12(16)10(7-13(11)17)14(20)19(6-5-18)9-3-1-2-4-9/h7-9H,1-4,6H2
InChIKeyPQJUMDGYXIUKSJ-UHFFFAOYSA-N
XLogP3.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-chloroethyl)-N-cyclobutyl-2,5-difluorobenzamide
CID 102872799
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82771645
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
N-(3-amino-3-sulfanylidenepropyl)-4-chloro-N-cyclopropyl-2,5-difluorobenzamide
CID 82771439
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337544
3-chloro-N-(cyanomethyl)-N-cyclopentyl-5-nitrobenzamide
CID 78997169
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide (CID 82771438) is 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide is N#CCN(C(=O)c1cc(F)c(Cl)cc1F)C1CCCC1.
What is the InChIKey of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide?
The InChIKey is PQJUMDGYXIUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c15-11-8-12(16)10(7-13(11)17)14(20)19(6-5-18)9-3-1-2-4-9/h7-9H,1-4,6H2.
What are the key properties of 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide?
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide has a molecular weight of 298.72 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide is sourced from PubChem (CID 82771438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).